data_1m8c_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 1m8c _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 ' 6' ' ' VAL . . . . . 0.473 HG11 ' CD ' ' A' ' 34' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -84.99 136.08 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 24.22 5.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -94.01 -30.05 14.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.06 -29.99 13.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.07 88.82 45.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.74 42.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -17.99 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.06 12.7 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.63 75.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 100.22 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 19' ' ' GLU . 66.3 p -133.44 -137.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.35 -31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 17' ' ' THR . 5.7 mp0 -66.91 99.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -117.65 129.67 55.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -144.75 113.57 5.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.97 143.3 28.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.5 mp -140.35 169.44 17.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -131.26 131.42 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 160.47 23.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.2 t -59.57 -21.86 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -86.47 -3.56 59.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.2 t-20 82.74 35.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -92.42 134.13 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.88 104.75 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 49.4 m-85 -92.73 161.92 14.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.86 -13.31 14.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -168.85 -177.15 2.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' CD ' HG11 ' A' ' 6' ' ' VAL . 5.0 mmtt -73.62 -28.85 62.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.7 m -70.38 -42.63 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -38.35 89.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.733 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.8 t80 -70.18 -43.04 71.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -65.55 -46.16 80.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.04 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.04 -43.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -59.68 -38.37 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 42' ' ' VAL . 1.4 tt0 -70.08 -17.84 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -91.95 -15.14 28.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.4 t-20 89.04 3.93 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 18.45 19.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 44' ' ' SER . 2.1 p -93.91 -32.07 14.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' CD2' ' OH ' ' A' ' 31' ' ' TYR . 10.4 tt -60.55 139.22 57.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 2.8 p -122.26 173.84 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 37' ' ' PHE . 8.6 tt -101.8 110.49 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -40.21 78.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -175.88 177.86 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.656 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -91.59 175.29 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . 73.73 -149.66 41.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 148.13 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 34' ' ' LYS . 53.6 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.68 136.0 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -128.48 15.17 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.5 -29.09 14.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -98.07 -29.67 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -122.63 85.97 49.13 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 162.35 37.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -17.73 63.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.36 16.2 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.03 103.4 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.58 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 76.8 p -116.36 155.78 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 82.04 -55.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -65.85 130.77 44.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -124.06 119.69 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 109.34 6.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.96 21.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.7 165.06 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -130.78 130.76 44.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 164.22 24.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.65 -28.94 68.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 0.735 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 18.2 p-10 -79.34 -3.62 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.4 t30 82.54 31.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 2.1 tttm -87.43 143.06 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 112.24 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 45.7 m-85 -103.97 165.65 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.21 -1.41 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -165.54 158.35 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' CG ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -67.76 -34.05 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -63.45 -46.72 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.434 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 2.0 t30 -61.52 -36.2 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 50' ' ' LEU . 39.0 t80 -66.76 -49.39 66.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -29.19 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -62.13 -44.99 95.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.16 67.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.02 -47.59 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.53 -31.85 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -74.93 -26.25 59.48 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.105 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.03 21.08 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.063 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.89 9.03 7.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.03 18.0 60.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.2 m -88.31 -46.34 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.502 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 4.3 tp -40.55 139.93 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -125.74 171.17 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 3.0 tp -97.62 106.54 18.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.72 96.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 22.0 p80 -175.95 -177.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.57 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.4 m-85 -95.94 176.78 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.27 166.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.24 142.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 14.7 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -115.67 136.32 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.29 28.3 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.33 -28.31 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 41.67 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -157.24 67.24 4.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.65 42.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -17.91 16.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -86.14 2.98 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' SG ' ' A' ' 16' ' ' CYS . . . -127.02 79.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -174.76 87.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -62.05 -129.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -91.86 27.19 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.383 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -82.9 129.94 35.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -122.46 120.09 32.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -139.35 108.31 7.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.68 33.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 37' ' ' PHE . 1.3 pt? -154.92 171.38 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.1 t -127.65 144.77 51.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.58 162.71 14.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -17.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -85.19 -9.5 57.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 t-20 83.71 27.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -93.27 132.78 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.55 109.84 22.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 39.3 m-85 -98.32 160.71 14.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.34 8.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -145.55 166.64 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -27.82 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.88 -45.32 86.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.309 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.83 -43.51 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 7.3 t80 -58.03 -52.97 63.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.67 69.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -65.01 -45.82 83.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.49 65.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 37' ' ' PHE . 2.7 t -55.3 -44.86 77.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -59.81 -40.22 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 42' ' ' VAL . 3.1 tt0 -65.93 -22.56 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -92.46 18.07 9.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 71.43 6.6 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.73 14.75 62.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -84.82 -51.62 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp -41.22 142.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.5 p -129.08 -173.1 2.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tp -105.24 111.6 24.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -67.4 -50.26 60.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 56.5 p-80 -166.22 176.72 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.635 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -87.35 173.3 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.85 -161.3 13.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.66 151.29 47.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.6 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -108.19 38.71 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -30.28 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.99 46.38 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -142.23 91.42 7.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.94 39.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.86 -17.91 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.04 2.57 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.93 63.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.65 105.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' LEU . 17.5 m -133.42 -130.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -39.43 -36.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -65.92 95.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.85 127.14 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 110.79 8.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.442 ' CB ' ' CG ' ' A' ' 55' ' ' LYS . 18.3 Cg_endo -74.96 146.95 33.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -139.18 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -131.66 128.87 39.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 108.23 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 164.15 24.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -59.96 -26.64 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.052 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -86.29 10.73 13.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.81 37.77 2.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -94.09 129.24 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -96.05 104.39 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.442 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 63.5 m-85 -90.18 165.82 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.05 -21.98 6.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.0 170.05 22.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -71.8 -27.83 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.02 -46.33 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -38.6 91.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 1.9 t80 -63.88 -52.76 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -28.06 69.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.05 -45.33 89.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.09 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.91 -42.29 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -36.71 67.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.33 -20.18 62.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 20.8 p -91.55 -1.65 57.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.1 t-20 77.94 15.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.31 17.18 63.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -85.27 -45.81 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.358 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.29 145.36 22.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -124.36 -177.12 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 tp -107.22 107.79 18.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -41.49 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 22.9 p80 -176.37 -179.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.506 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.3 m-85 -87.69 177.17 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.25 -176.37 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' CG ' ' CB ' ' A' ' 22' ' ' PRO . 8.1 mtmm -66.81 145.4 55.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.351 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -79.01 121.2 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -104.16 -6.53 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -20.25 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.03 -14.87 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.86 85.59 16.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.69 42.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -20.36 57.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.78 16.09 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.0 101.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.36 42.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 108.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 69.5 p -91.95 142.57 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.62 -50.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.74 101.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -110.91 119.61 39.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 107.27 4.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.29 33.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 50' ' ' LEU . 1.3 pt? -146.48 172.58 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 6.0 t -123.61 144.65 49.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.62 174.56 25.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.441 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.1 OUTLIER -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -97.85 2.06 48.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.2 t30 81.39 27.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.86 131.81 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.392 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -100.19 106.98 18.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 1.181 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 59.8 m-85 -97.65 163.27 12.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.94 -28.03 11.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -152.5 168.57 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.346 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -27.75 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.389 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.91 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.275 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.11 -37.02 84.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 53.6 t80 -62.23 -52.73 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -27.99 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.98 -44.97 95.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.19 -37.74 66.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.361 1.038 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 48' ' ' LEU . 12.4 t -55.69 -46.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -59.66 -39.03 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -75.08 -19.01 60.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -94.69 19.58 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.42 9.62 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 85.85 15.08 66.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.8 m -81.71 -55.48 4.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -40.4 138.83 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 5.7 p -125.09 176.92 6.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 23' ' ' LEU . 5.4 tp -99.93 111.35 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -55.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 50.4 p-80 -161.37 176.8 10.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.7 m-85 -85.82 177.12 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 51.8 174.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 147.5 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.94 118.93 25.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 40.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -88.77 -30.64 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.89 59.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 4.5 m-85 -175.02 80.19 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.66 42.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -20.93 64.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 1.64 31.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 90.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -174.09 61.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 108.226 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 p -125.08 149.89 47.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 80.13 -54.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 2.6 mp0 -65.96 122.04 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.65 119.57 34.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 16.0 mtm180 -138.98 107.95 7.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 144.34 29.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.82 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.7 mp -141.75 169.56 17.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.29 127.75 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.27 165.56 29.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -61.75 -26.47 68.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.79 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 11.8 p-10 -89.93 14.63 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 68.74 35.3 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 12.6 tttt -85.86 126.43 34.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.56 103.9 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.755 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 52.5 m-85 -93.68 161.13 14.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.18 -1.9 16.13 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 4.7 m-20 -164.38 165.42 21.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' HD23 ' A' ' 23' ' ' LEU . 11.6 mmtt -74.77 -39.99 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 3.3 p -61.31 -46.6 89.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.423 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -60.49 -43.17 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t80 -60.19 -49.42 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.87 -45.1 83.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.78 -33.14 66.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.23 -44.62 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -60.39 -41.54 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.611 1.194 . . . . 0.0 109.245 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' HG12 ' A' ' 42' ' ' VAL . 1.8 tt0 -71.43 -14.79 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.41 15.82 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.04 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 7.2 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.82 65.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -86.11 -48.52 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 8.6 tp -39.92 145.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 p -131.16 179.87 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 tp -106.89 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -37.63 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.474 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 20.8 p80 -175.71 -179.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.8 m-85 -86.88 177.12 7.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.84 172.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 166.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 37' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.49 102.71 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -101.48 43.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.6 m -90.37 -29.65 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.61 52.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -154.11 76.72 5.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.82 40.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.71 -18.44 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.42 8.0 38.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.18 58.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -151.8 -105.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' GLU . 9.4 p 52.58 172.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp 69.99 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.6 pt-20 -65.95 135.54 54.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 118.9 29.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -137.92 108.31 8.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.97 33.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 37' ' ' PHE . 2.1 pt? -166.0 164.63 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -127.0 144.72 50.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.54 165.94 16.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -27.01 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 43.1 p-10 -76.7 -6.65 53.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.9 t-20 79.03 24.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 19.4 tttt -85.78 140.71 30.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.19 121.72 38.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.9 m-85 -115.65 151.96 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.46 -1.61 43.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 23.0 m-20 -165.58 160.62 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.252 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' NZ ' ' CZ ' ' A' ' 53' ' ' PHE . 26.1 mmtt -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.84 -41.57 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 108.276 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.56 -37.09 76.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 30.0 t80 -64.83 -51.74 60.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.456 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 1.4 t -62.97 -30.07 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -61.55 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.81 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 14.8 t -57.32 -44.6 84.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 38' ' ' CYS . 4.8 t -59.53 -32.67 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 -16.92 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 47' ' ' THR . 3.3 m -101.54 28.68 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 61.89 13.99 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 76.83 14.59 82.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 44' ' ' SER . 43.8 p -83.24 -50.09 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -41.62 145.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 p -124.4 -168.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 tp -106.0 113.43 26.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -43.28 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -176.22 175.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CZ ' ' NZ ' ' A' ' 34' ' ' LYS . 2.8 m-85 -87.61 176.22 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.74 -178.56 2.42 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 151.39 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.73 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -80.83 132.09 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 13.95 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -20.35 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -104.01 -11.13 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.082 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -133.33 88.26 35.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.74 41.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -17.68 60.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.04 -62.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 63.79 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.05 85.83 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -64.29 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.83 55.2 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.618 1.198 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -87.33 102.3 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.351 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.14 118.39 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -147.52 108.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 135.75 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 1.5 mp -141.28 170.2 16.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 54.1 t -130.2 141.04 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 161.61 15.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -59.54 -29.6 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.07 -6.05 51.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.7 t-20 84.01 37.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -92.02 153.18 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -111.61 103.64 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CE2' ' HD1' ' A' ' 37' ' ' PHE . 48.5 m-85 -90.4 155.91 18.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.98 -1.42 25.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 1.5 p-10 -174.56 159.35 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.72 -29.48 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.48 99.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 108.241 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -37.49 76.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.415 ' HD1' ' CE2' ' A' ' 31' ' ' TYR . 78.4 t80 -61.82 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.55 -27.78 67.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 108.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.85 -46.25 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.48 -33.29 66.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.26 -42.92 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -35.81 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.01 -18.45 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -93.24 13.12 22.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.45 7.17 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.74 14.89 58.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.7 m -81.15 -56.38 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' THR . 6.8 tp -40.19 146.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -131.33 176.52 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 tp -101.9 106.74 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.61 99.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 42.2 p-80 -175.03 -177.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.4 m-85 -86.74 -175.07 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.89 -167.55 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 151.28 32.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 108.247 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 50' ' ' LEU . 15.5 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.69 124.13 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 46.71 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -96.39 -28.64 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -129.87 67.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 1.9 m-85 179.82 88.83 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.5 Cg_endo -74.93 143.13 28.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -16.9 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -45.02 23.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -122.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 26.0 p 41.42 74.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 108.385 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -134.1 172.62 12.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 110.392 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 77.36 -59.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.45 127.46 33.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -121.5 120.54 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -141.73 115.81 6.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.2 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 141.72 26.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD2' ' HE3' ' A' ' 34' ' ' LYS . 1.2 mp -139.95 164.48 29.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.1 t -131.51 129.9 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.34 162.79 21.74 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -57.73 -24.68 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.963 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD2' ' CD ' ' A' ' 29' ' ' LYS . 15.6 p-10 -85.54 8.71 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.8 37.86 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.31 128.63 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -95.59 109.17 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.437 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.581 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 44.6 m-85 -99.43 173.34 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.77 -1.7 7.51 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -166.58 171.04 12.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' CD2' ' A' ' 23' ' ' LEU . 37.7 mmtm -73.08 -26.65 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.7 m -69.17 -44.88 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -63.45 -42.81 98.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 50' ' ' LEU . 13.5 t80 -65.16 -44.4 88.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.0 m -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.67 -45.95 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.07 -41.12 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 37' ' ' PHE . 8.4 t -55.74 -47.89 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -32.6 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.36 -18.51 61.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.7 m -96.06 6.34 49.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.8 t30 80.07 11.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.26 17.88 61.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.589 1.181 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 75.9 p -90.9 -45.31 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -39.05 154.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.13 -179.22 5.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.58 108.43 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -46.07 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 54.3 p-80 -176.21 176.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.672 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.23 176.49 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.91 -149.21 50.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 153.42 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 0.705 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.43 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.513 ' CG1' ' CD1' ' A' ' 50' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.21 129.91 36.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.9 44.74 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 108.243 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -93.51 -21.36 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.86 52.32 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.48 88.26 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 153.51 42.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.5 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -34.7 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' C ' ' N ' ' A' ' 17' ' ' THR . . . -108.65 -81.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' THR . 0.1 OUTLIER 45.75 26.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 15' ' ' ALA . 1.9 m 36.79 -151.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.72 19.59 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 134.45 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -123.69 119.88 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.88 108.1 6.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 147.06 33.29 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.415 1.745 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 50' ' ' LEU . 1.5 pt? -159.02 168.4 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -125.52 149.93 47.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.52 159.75 14.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -55.69 -28.32 54.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.7 -4.71 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.3 t-20 81.56 30.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.7 mttt -90.63 139.67 30.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 122.64 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 32.5 m-85 -117.15 156.5 27.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.14 -25.91 5.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.72 153.41 49.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -63.31 -31.28 72.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -44.13 90.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 108.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -36.38 83.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 77.6 t80 -67.58 -50.45 58.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 94.6 m -62.95 -29.73 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -62.12 -44.68 96.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -36.65 66.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 19.2 t -55.57 -46.84 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 38' ' ' CYS . 17.4 t -59.83 -31.88 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.21 -27.51 64.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.59 8.01 6.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 87.68 17.41 58.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.0 m -87.56 -45.87 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' THR . 14.3 tp -37.56 145.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -124.99 177.47 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' CD1' ' CG1' ' A' ' 6' ' ' VAL . 9.5 tt -104.38 105.93 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -50.23 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -168.58 176.59 5.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.22 175.75 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 54.79 177.57 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 151.88 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.227 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.9 137.12 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.68 42.23 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -87.63 -25.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.17 62.03 1.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -165.19 91.38 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.89 19.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -17.61 23.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.84 -32.83 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.49 -101.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m 42.14 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -66.88 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.93 23.16 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 101.75 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -94.23 120.09 33.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 7.2 mmm180 -143.47 108.2 5.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 134.66 18.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 21' ' ' ARG . 1.3 mp -142.27 166.08 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . 11.8 t -126.0 141.17 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.309 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.92 169.37 17.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.456 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -67.83 -17.06 64.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 12.25 35.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 72.11 30.6 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -85.6 126.05 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -96.05 103.39 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.512 ' OH ' ' CD2' ' A' ' 48' ' ' LEU . 48.5 m-85 -86.78 160.64 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 33' ' ' ASN . . . -122.49 -2.32 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' CG ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -162.68 159.14 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 0.719 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -69.28 -43.79 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -37.57 83.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.591 ' CE1' HG22 ' A' ' 41' ' ' VAL . 10.7 t80 -67.65 -49.21 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.12 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.6 -44.41 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.63 -36.18 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.591 HG22 ' CE1' ' A' ' 37' ' ' PHE . 32.2 t -61.15 -48.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -32.57 53.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -75.43 -17.02 60.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.22 21.5 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 m120 68.05 10.22 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 83.03 18.54 64.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 72.7 p -85.92 -47.05 10.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' CD2' ' OH ' ' A' ' 31' ' ' TYR . 6.4 tp -38.89 147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 27.7 p -130.52 175.03 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 2.1 tp -103.64 105.73 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -41.98 90.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 47.3 p-80 -174.11 179.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.5 m-85 -84.98 -179.52 7.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.97 -162.85 5.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -72.45 165.23 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.748 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 37' ' ' PHE . 94.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -98.64 126.47 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.7 t -132.62 10.79 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -87.51 -28.94 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 6.6 mm-40 -124.03 54.93 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 4.7 m-85 -175.93 73.69 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.52 41.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -17.87 26.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.71 18.39 13.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.8 74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -179.15 59.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 77.4 p -117.96 158.38 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.81 -55.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -66.35 99.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -95.29 120.0 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 107.43 10.64 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.5 pt? -164.25 150.89 11.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.8 t -109.5 149.22 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.84 165.07 16.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -15.84 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 15.5 p-10 -92.23 -4.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 t30 81.92 26.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.9 mttm -85.77 137.6 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -96.69 116.91 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 70.2 m-85 -113.57 151.15 32.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -105.89 -11.88 27.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 70.8 m-20 -148.49 157.85 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -27.26 58.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.41 -39.01 85.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -39.19 66.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 23' ' ' LEU . 15.9 t80 -62.6 -55.6 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -31.65 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.43 -44.21 97.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.32 -31.89 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.67 -48.05 84.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.9 t -59.61 -31.92 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.54 -19.94 60.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.69 28.42 3.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.19 10.06 7.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.18 80.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -45.64 15.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 10.9 tp -45.72 130.7 9.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.364 1.04 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.58 -167.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 23' ' ' LEU . 12.7 tp -109.27 117.26 33.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -40.0 60.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -177.06 171.34 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.52 173.82 12.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.91 179.97 2.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.427 1.08 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 0.795 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.02 123.62 26.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 21.66 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 p -82.57 -21.11 35.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -132.45 46.83 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -160.43 91.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.12 35.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -71.72 -18.05 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.15 9.24 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.56 78.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.63 99.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 19' ' ' GLU . 4.8 m -131.51 -131.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 1.3 mt -39.85 -29.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 17' ' ' THR . 2.2 mp0 -65.22 97.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -109.73 130.12 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 108.23 4.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -137.71 159.36 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.9 t -124.62 121.91 36.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 160.28 31.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.448 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -58.23 -24.33 58.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.771 . . . . 0.0 109.901 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 14.7 p-10 -82.45 -3.96 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 t-20 81.73 30.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -89.77 151.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -112.42 115.27 28.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 18.4 m-85 -111.28 123.21 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -1.32 86.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 19' ' ' GLU . 78.4 m-20 -163.8 156.92 18.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -64.06 -35.86 82.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 m -60.45 -44.33 95.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -35.53 80.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.9 t80 -66.5 -48.07 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' LYS . 5.1 m -63.91 -30.63 71.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.79 -43.79 98.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.61 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' GLY . 3.7 t -57.79 -48.84 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -41.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.205 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.13 -12.24 61.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.89 18.3 20.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.86 3.84 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 87.11 8.72 74.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 m -79.28 -45.08 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.447 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' CD2' ' OH ' ' A' ' 31' ' ' TYR . 1.7 tt -39.09 141.02 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 3.3 p -121.34 -170.34 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 tp -115.56 114.54 25.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 24' ' ' CYS . 44.9 p-80 -156.92 170.5 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.663 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.9 OUTLIER -82.06 176.87 9.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.3 -161.58 53.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 166.58 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 0.818 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.64 136.09 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -130.01 32.55 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -87.72 -26.49 22.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -135.1 55.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -159.02 79.21 2.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.76 41.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.57 -4.45 54.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.34 -125.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 57.29 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -67.69 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.12 19.23 8.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.07 96.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -93.05 119.77 32.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.578 1.174 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 2.8 mpp_? -141.89 107.29 5.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.33 33.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -159.05 167.07 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -118.89 149.33 41.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.79 166.36 13.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -29.68 59.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.2 m-20 -82.82 -0.09 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t30 79.03 26.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.62 127.17 34.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.21 107.21 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.345 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 6.8 m-85 -96.14 160.82 14.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.39 -28.24 6.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -141.54 166.95 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CD ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.47 -27.42 58.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -46.7 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -40.46 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' A' ' 31' ' ' TYR . 9.8 t80 -59.16 -52.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.7 -28.55 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -61.48 -44.57 96.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -34.46 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 48' ' ' LEU . 16.0 t -56.65 -47.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.85 -31.94 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.95 -15.85 60.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 p -100.89 16.95 23.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.98 6.28 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.25 16.51 53.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -86.16 -48.5 8.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 41' ' ' VAL . 3.0 tp -44.45 129.77 6.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.5 p -114.93 -174.1 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 23' ' ' LEU . 1.7 tp -104.9 106.13 16.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -45.24 85.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -178.61 172.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 54' ' ' GLY . 11.6 m-85 -76.55 171.23 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 54.3 166.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 160.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 64.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.89 25.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.57 35.37 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 108.332 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -83.62 -31.16 26.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.43 56.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -171.72 87.65 0.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.1 Cg_endo -74.9 137.02 21.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -17.62 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.14 -17.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 -123.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.398 1.061 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 55.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.266 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 2.0 m -61.26 -139.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.87 17.86 12.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -65.89 135.7 55.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.627 1.204 . . . . 0.0 110.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.0 119.62 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 1.3 mmm180 -138.0 107.04 8.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.14 33.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.068 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD11 ' CD2' ' A' ' 37' ' ' PHE . 1.4 pt? -159.99 170.32 21.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -125.52 150.53 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.41 163.99 13.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -21.71 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.8 p-10 -84.15 -7.27 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.7 t-20 83.18 36.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.244 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 6.1 tttt -99.95 134.61 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -95.5 117.25 30.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 46.8 m-85 -108.72 156.07 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.01 -28.02 10.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 10.7 m-20 -144.48 160.64 40.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -27.34 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -46.28 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.92 -35.65 80.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 t80 -63.34 -51.87 64.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.5 -30.22 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.63 -42.58 99.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.75 65.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 48' ' ' LEU . 24.7 t -56.0 -46.05 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.49 -35.67 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.54 -19.33 58.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 47' ' ' THR . 1.1 m -93.54 25.41 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.39 8.41 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.383 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.94 16.15 81.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' LEU . 67.4 p -93.34 -46.08 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -39.31 144.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -125.19 -173.69 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -104.16 114.18 28.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -47.64 78.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -171.68 174.14 4.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' GLY . 2.3 m-85 -80.88 174.41 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 52.82 171.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -43.17 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 37' ' ' PHE . 4.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.35 131.47 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.66 36.17 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 108.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 -16.63 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.49 22.31 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -150.75 89.13 4.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 160.89 39.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -17.22 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.23 -55.04 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.19 60.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.28 78.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 18' ' ' LEU . 3.5 t -117.82 -126.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -39.8 -29.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.7 mp0 -64.82 96.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.53 120.48 39.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.92 108.21 9.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.421 1.748 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.8 pt? -158.68 165.01 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.0 147.78 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 108.256 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.48 163.77 14.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -62.35 -18.11 60.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.3 p-10 -88.78 -5.67 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.6 t-20 82.89 37.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 43.7 mttt -97.89 132.27 43.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -96.17 108.18 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 32.2 m-85 -102.32 156.36 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -100.08 -28.75 7.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 17.4 m-20 -141.78 157.68 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.431 ' CE ' HD13 ' A' ' 23' ' ' LEU . 26.0 mmtt -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.51 -46.34 80.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.295 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.35 -36.79 84.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 23' ' ' LEU . 21.0 t80 -65.82 -50.4 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.72 -28.87 70.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.96 -44.69 95.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.208 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.91 -41.2 64.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 37' ' ' PHE . 4.1 t -55.75 -44.61 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -76.18 -20.31 57.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 13.8 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.62 6.14 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.64 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.7 m -84.86 -56.16 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 41' ' ' VAL . 4.3 tp -39.9 136.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -120.21 179.39 4.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 37' ' ' PHE . 11.1 tp -99.58 115.37 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -47.36 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 25.1 p80 -171.7 174.72 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.99 174.59 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.5 169.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.23 115.59 22.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.02 28.75 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -94.65 -24.59 17.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 mm-40 -131.08 60.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -167.16 86.02 0.81 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 158.65 41.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -18.48 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.86 13.86 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' C ' ' SG ' ' A' ' 16' ' ' CYS . . . -125.16 70.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER 174.65 109.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 108.348 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.8 m -133.23 -126.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -39.44 -34.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -65.71 111.69 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.52 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -125.88 110.65 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 147.16 33.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 1.4 mp -140.28 167.17 22.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 41.8 t -122.69 142.38 50.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -107.51 157.67 15.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 2.0 t -58.46 -29.62 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -86.75 12.42 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 72.85 35.5 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.8 149.69 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -118.51 103.98 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD2' ' HD2' ' A' ' 37' ' ' PHE . 31.3 m-85 -91.52 162.23 14.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 1.058 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.95 -23.3 6.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.28 170.77 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.45 -34.46 58.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 108.342 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -35.85 81.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 41' ' ' VAL . 4.1 t80 -64.43 -52.67 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.2 -31.36 72.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.71 64.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 37' ' ' PHE . 39.8 t -63.96 -43.78 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -38.68 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.44 -11.99 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 41' ' ' VAL . 53.8 p -94.27 7.72 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.5 6.05 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.72 15.63 56.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m -81.32 -52.12 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 10.0 tp -49.26 146.32 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 17.1 p -132.57 177.7 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -106.33 107.48 18.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -41.52 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 43.2 p-80 -173.67 -175.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.6 m-85 -86.97 -174.3 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CA ' ' A' ' 23' ' ' LEU . . . 59.01 -150.03 37.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.296 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 37' ' ' PHE . 53.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.63 129.05 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.45 -3.42 57.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -30.28 57.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.54 -34.69 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.01 92.17 25.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.48 40.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -17.76 19.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.77 13.17 16.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.43 84.73 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.17 113.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 108.246 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -138.08 -139.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -31.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.96 103.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.83 133.03 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -143.46 115.65 5.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 146.58 32.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.74 166.45 24.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.6 t -120.88 147.65 45.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 108.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.58 163.21 12.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -63.88 -23.27 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -86.29 4.09 40.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 73.79 40.74 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -101.76 152.64 20.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -112.82 103.85 11.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 64.6 m-85 -85.32 166.76 16.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.54 -19.08 6.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.579 1.174 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -159.57 173.06 16.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' CD ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -70.91 -34.46 71.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.6 m -63.24 -46.03 88.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -63.02 -37.67 88.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 50' ' ' LEU . 64.8 t80 -63.77 -54.42 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -63.22 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.76 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.77 -33.51 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 44.6 t -58.81 -48.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.04 -41.96 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.54 -18.47 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.1 OUTLIER -96.24 21.83 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 110.043 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 m120 72.07 5.47 5.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 80.22 18.47 71.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 44' ' ' SER . 74.5 p -93.09 -45.62 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 0.809 . . . . 0.0 110.378 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 tp -40.17 147.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -130.69 -179.86 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 37' ' ' PHE . 5.3 tp -100.08 107.59 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -44.07 85.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 26.7 p80 -176.01 -176.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.7 m-85 -89.06 176.21 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' PRO . . . 65.74 -147.78 50.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.6 OUTLIER -101.39 144.86 29.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' A' ' 37' ' ' PHE . 84.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -105.13 102.5 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.7 t -112.6 19.51 17.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.67 -18.88 20.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -116.58 -6.84 11.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.9 87.79 43.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 159.37 41.53 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -18.16 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.94 16.71 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.01 94.36 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.26 105.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 108.224 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' GLU . 2.9 m -131.09 -133.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.1 mp0 -65.68 97.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 2.3 t80 -112.05 126.69 55.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 20' ' ' TYR . 2.7 mmm180 -143.37 107.99 5.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.484 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -74.95 139.52 24.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -127.82 157.43 40.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 52' ' ' HIS . 37.9 t -126.26 110.08 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -77.0 146.97 32.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.2 OUTLIER -71.17 -12.77 61.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 18.2 p-10 -84.24 0.82 47.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.9 t-20 83.94 43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -119.31 149.51 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -116.27 134.69 54.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 42.6 m-85 -124.91 160.73 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -112.18 -25.68 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.48 167.3 22.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.73 -27.69 66.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.43 -36.23 73.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -67.38 -44.55 78.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.61 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 6.9 t80 -67.72 -42.98 81.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.18 -28.21 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 108.315 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.91 -45.4 92.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -73.21 -36.87 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 37' ' ' PHE . 30.5 t -55.83 -48.29 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.33 -37.79 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.26 -17.04 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ALA . 2.0 m -97.98 12.82 32.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.68 10.29 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.57 16.83 56.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 57.3 m -87.61 -29.89 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 0.797 . . . . 0.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 2.8 tm? -38.86 136.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 27.7 p -110.51 168.48 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 37' ' ' PHE . 48.5 tp -123.49 101.11 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -37.46 87.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 17.6 p80 -175.6 179.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 5.0 m-85 -90.42 175.3 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 69.11 -158.71 53.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 154.09 20.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 108.379 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.85 128.63 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.23 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.2 t -94.1 -23.62 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.04 45.88 2.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 110.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -170.52 88.1 0.51 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.62 41.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.552 1.817 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -59.41 -19.14 44.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.33 10.21 17.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.72 85.85 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.01 105.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' LEU . 24.7 m -138.82 -119.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -39.21 -36.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.8 pm0 -65.57 104.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.41 125.24 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -139.75 112.29 7.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.5 33.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 37' ' ' PHE . 2.0 pt? -159.87 145.95 15.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 45.6 t -102.18 141.09 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.35 169.5 26.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 t -62.88 -24.65 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 18.7 p-10 -85.49 -0.79 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 8.2 t30 78.72 33.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.381 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.2 tttp -91.03 134.73 34.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.49 104.0 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 62.4 m-85 -97.8 154.6 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.04 -28.12 8.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 13.1 t-20 -146.3 167.51 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -26.75 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.3 -45.53 84.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.246 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 39' ' ' ASN . 2.1 t-20 -69.01 -34.68 75.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CD2' HD13 ' A' ' 23' ' ' LEU . 3.9 t80 -64.41 -50.72 66.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 t -63.59 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 36' ' ' ASN . 10.2 t30 -61.73 -43.72 98.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.02 -39.29 66.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.66 -42.59 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -36.52 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -19.68 62.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 47' ' ' THR . 1.6 m -95.43 24.87 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.75 10.85 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.32 17.95 78.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 44' ' ' SER . 70.3 p -90.47 -47.47 7.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 3.4 tp -39.87 150.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.49 -169.0 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 110.364 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 tp -110.54 111.84 23.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 24' ' ' CYS . 77.6 p -61.25 -67.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.31 168.76 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.512 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.01 172.03 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.37 -177.62 3.38 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -68.1 145.87 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.28 81.39 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.23 121.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.5 t -118.07 160.48 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -158.26 126.84 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.473 HG11 ' CD ' ' A' ' 34' ' ' LYS . 3.3 m -100.1 111.58 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -84.99 136.08 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 24.22 5.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -94.01 -30.05 14.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.06 -29.99 13.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.07 88.82 45.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.74 42.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -17.99 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.06 12.7 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.63 75.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 100.22 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 19' ' ' GLU . 66.3 p -133.44 -137.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.35 -31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 17' ' ' THR . 5.7 mp0 -66.91 99.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -117.65 129.67 55.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -144.75 113.57 5.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.97 143.3 28.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.5 mp -140.35 169.44 17.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -131.26 131.42 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 160.47 23.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.2 t -59.57 -21.86 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -86.47 -3.56 59.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.2 t-20 82.74 35.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -92.42 134.13 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.88 104.75 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 49.4 m-85 -92.73 161.92 14.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.86 -13.31 14.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -168.85 -177.15 2.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' CD ' HG11 ' A' ' 6' ' ' VAL . 5.0 mmtt -73.62 -28.85 62.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.7 m -70.38 -42.63 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -38.35 89.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.733 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.8 t80 -70.18 -43.04 71.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -65.55 -46.16 80.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.04 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.04 -43.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -59.68 -38.37 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 42' ' ' VAL . 1.4 tt0 -70.08 -17.84 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -91.95 -15.14 28.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.4 t-20 89.04 3.93 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 18.45 19.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 44' ' ' SER . 2.1 p -93.91 -32.07 14.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' CD2' ' OH ' ' A' ' 31' ' ' TYR . 10.4 tt -60.55 139.22 57.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 2.8 p -122.26 173.84 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 37' ' ' PHE . 8.6 tt -101.8 110.49 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -40.21 78.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -175.88 177.86 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.656 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -91.59 175.29 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . 73.73 -149.66 41.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 148.13 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.04 79.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.4 62.22 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 m -59.76 166.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -128.86 141.95 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 34' ' ' LYS . 53.6 t -98.04 134.04 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.68 136.0 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -128.48 15.17 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.5 -29.09 14.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -98.07 -29.67 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -122.63 85.97 49.13 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 162.35 37.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -17.73 63.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.36 16.2 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.03 103.4 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.58 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 76.8 p -116.36 155.78 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 82.04 -55.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -65.85 130.77 44.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -124.06 119.69 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 109.34 6.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.96 21.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.7 165.06 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -130.78 130.76 44.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 164.22 24.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.65 -28.94 68.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 0.735 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 18.2 p-10 -79.34 -3.62 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.4 t30 82.54 31.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 2.1 tttm -87.43 143.06 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 112.24 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 45.7 m-85 -103.97 165.65 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.21 -1.41 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -165.54 158.35 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' CG ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -67.76 -34.05 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -63.45 -46.72 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.434 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 2.0 t30 -61.52 -36.2 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 50' ' ' LEU . 39.0 t80 -66.76 -49.39 66.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -29.19 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -62.13 -44.99 95.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.16 67.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -56.02 -47.59 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 t -62.53 -31.85 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -74.93 -26.25 59.48 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.105 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.03 21.08 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.063 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.89 9.03 7.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.03 18.0 60.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.2 m -88.31 -46.34 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.502 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 4.3 tp -40.55 139.93 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -125.74 171.17 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.59 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 3.0 tp -97.62 106.54 18.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.72 96.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 22.0 p80 -175.95 -177.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.57 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.4 m-85 -95.94 176.78 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.27 166.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.24 142.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.57 44.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.38 75.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 5' ' ' SER . 5.6 p -49.78 166.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 1.077 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 74.3 m -123.62 143.71 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 14.7 t -98.43 134.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -115.67 136.32 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.29 28.3 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.33 -28.31 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 41.67 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -157.24 67.24 4.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 157.65 42.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -17.91 16.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -86.14 2.98 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' SG ' ' A' ' 16' ' ' CYS . . . -127.02 79.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -174.76 87.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 m -62.05 -129.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -91.86 27.19 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.383 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -82.9 129.94 35.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -122.46 120.09 32.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -139.35 108.31 7.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.68 33.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 37' ' ' PHE . 1.3 pt? -154.92 171.38 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.1 t -127.65 144.77 51.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.58 162.71 14.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -17.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -85.19 -9.5 57.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 t-20 83.71 27.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -93.27 132.78 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.55 109.84 22.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 39.3 m-85 -98.32 160.71 14.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.34 8.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -145.55 166.64 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -27.82 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.88 -45.32 86.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.309 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.83 -43.51 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 7.3 t80 -58.03 -52.97 63.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.67 69.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -65.01 -45.82 83.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.49 65.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 37' ' ' PHE . 2.7 t -55.3 -44.86 77.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -59.81 -40.22 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 42' ' ' VAL . 3.1 tt0 -65.93 -22.56 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -92.46 18.07 9.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 71.43 6.6 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.73 14.75 62.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -84.82 -51.62 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tp -41.22 142.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.5 p -129.08 -173.1 2.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tp -105.24 111.6 24.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -67.4 -50.26 60.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 56.5 p-80 -166.22 176.72 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.635 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -87.35 173.3 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.85 -161.3 13.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.66 151.29 47.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.14 89.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.91 142.93 52.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.31 161.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -159.6 149.9 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.93 149.32 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.6 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -108.19 38.71 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -30.28 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.99 46.38 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -142.23 91.42 7.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.94 39.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.86 -17.91 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.04 2.57 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.93 63.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.65 105.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 18' ' ' LEU . 17.5 m -133.42 -130.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -39.43 -36.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -65.92 95.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.85 127.14 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 110.79 8.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' CB ' ' CG ' ' A' ' 55' ' ' LYS . 18.3 Cg_endo -74.96 146.95 33.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -139.18 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.3 t -131.66 128.87 39.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 108.23 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 164.15 24.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -59.96 -26.64 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.052 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -86.29 10.73 13.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.81 37.77 2.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -94.09 129.24 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -96.05 104.39 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.442 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 63.5 m-85 -90.18 165.82 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.05 -21.98 6.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.0 170.05 22.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -71.8 -27.83 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.02 -46.33 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -38.6 91.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 1.9 t80 -63.88 -52.76 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -28.06 69.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -64.05 -45.33 89.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.09 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.91 -42.29 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.67 -36.71 67.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.33 -20.18 62.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 20.8 p -91.55 -1.65 57.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.1 t-20 77.94 15.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.31 17.18 63.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.5 p -85.27 -45.81 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.358 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 tp -55.29 145.36 22.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -124.36 -177.12 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 tp -107.22 107.79 18.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -41.49 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 22.9 p80 -176.37 -179.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.506 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.3 m-85 -87.69 177.17 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.25 -176.37 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' CG ' ' CB ' ' A' ' 22' ' ' PRO . 8.1 mtmm -66.81 145.4 55.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.351 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 40.65 77.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.9 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.8 t -125.64 148.58 30.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -175.11 141.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -97.88 152.43 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -79.01 121.2 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -104.16 -6.53 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -20.25 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.03 -14.87 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.86 85.59 16.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.69 42.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -20.36 57.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.78 16.09 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.0 101.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.36 42.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 108.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 69.5 p -91.95 142.57 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.62 -50.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.74 101.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -110.91 119.61 39.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 107.27 4.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.29 33.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 50' ' ' LEU . 1.3 pt? -146.48 172.58 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 52' ' ' HIS . 6.0 t -123.61 144.65 49.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.62 174.56 25.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.1 OUTLIER -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -97.85 2.06 48.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.2 t30 81.39 27.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.86 131.81 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.392 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -100.19 106.98 18.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 1.181 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 59.8 m-85 -97.65 163.27 12.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.94 -28.03 11.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -152.5 168.57 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.346 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -27.75 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.389 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.91 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.275 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.11 -37.02 84.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 53.6 t80 -62.23 -52.73 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -27.99 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.98 -44.97 95.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.19 -37.74 66.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.361 1.038 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 48' ' ' LEU . 12.4 t -55.69 -46.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -59.66 -39.03 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -75.08 -19.01 60.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -94.69 19.58 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.42 9.62 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 85.85 15.08 66.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.8 m -81.71 -55.48 4.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -40.4 138.83 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 5.7 p -125.09 176.92 6.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 23' ' ' LEU . 5.4 tp -99.93 111.35 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -55.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 50.4 p-80 -161.37 176.8 10.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.7 m-85 -85.82 177.12 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 51.8 174.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 147.5 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.48 172.05 9.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.14 120.68 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 50' ' ' LEU . 2.6 p -167.63 174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 p 63.09 125.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.65 130.84 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.94 118.93 25.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 40.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -88.77 -30.64 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.89 59.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 4.5 m-85 -175.02 80.19 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.66 42.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -20.93 64.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 1.64 31.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 90.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -174.09 61.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 108.226 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 p -125.08 149.89 47.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 80.13 -54.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 2.6 mp0 -65.96 122.04 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.65 119.57 34.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 16.0 mtm180 -138.98 107.95 7.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 144.34 29.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.82 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 HD23 ' CE ' ' A' ' 34' ' ' LYS . 2.7 mp -141.75 169.56 17.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.29 127.75 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.27 165.56 29.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -61.75 -26.47 68.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.79 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 11.8 p-10 -89.93 14.63 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 68.74 35.3 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 12.6 tttt -85.86 126.43 34.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.56 103.9 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.755 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 52.5 m-85 -93.68 161.13 14.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.18 -1.9 16.13 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 4.7 m-20 -164.38 165.42 21.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' CE ' HD23 ' A' ' 23' ' ' LEU . 11.6 mmtt -74.77 -39.99 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 3.3 p -61.31 -46.6 89.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.423 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -60.49 -43.17 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t80 -60.19 -49.42 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.87 -45.1 83.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.78 -33.14 66.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.23 -44.62 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -60.39 -41.54 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.611 1.194 . . . . 0.0 109.245 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' HG12 ' A' ' 42' ' ' VAL . 1.8 tt0 -71.43 -14.79 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.24 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.41 15.82 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.04 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 7.2 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.82 65.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -86.11 -48.52 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 8.6 tp -39.92 145.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 p -131.16 179.87 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 3.3 tp -106.89 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -37.63 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.474 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 20.8 p80 -175.71 -179.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.8 m-85 -86.88 177.12 7.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.84 172.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 166.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.93 -171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.22 63.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 50' ' ' LEU . 18.0 m -62.41 163.02 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -172.4 131.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 37' ' ' PHE . 1.2 m -99.26 115.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.49 102.71 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -101.48 43.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.6 m -90.37 -29.65 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.61 52.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -154.11 76.72 5.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.82 40.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.71 -18.44 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.42 8.0 38.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.18 58.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -151.8 -105.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' GLU . 9.4 p 52.58 172.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp 69.99 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.6 pt-20 -65.95 135.54 54.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 118.9 29.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -137.92 108.31 8.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.97 33.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 37' ' ' PHE . 2.1 pt? -166.0 164.63 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 t -127.0 144.72 50.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.54 165.94 16.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -27.01 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 43.1 p-10 -76.7 -6.65 53.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.9 t-20 79.03 24.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 19.4 tttt -85.78 140.71 30.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.19 121.72 38.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.9 m-85 -115.65 151.96 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.46 -1.61 43.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 23.0 m-20 -165.58 160.62 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.252 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' NZ ' ' CZ ' ' A' ' 53' ' ' PHE . 26.1 mmtt -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.84 -41.57 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 108.276 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.56 -37.09 76.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 30.0 t80 -64.83 -51.74 60.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 1.4 t -62.97 -30.07 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -61.55 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.81 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 14.8 t -57.32 -44.6 84.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 38' ' ' CYS . 4.8 t -59.53 -32.67 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 -16.92 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 47' ' ' THR . 3.3 m -101.54 28.68 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 61.89 13.99 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 76.83 14.59 82.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 44' ' ' SER . 43.8 p -83.24 -50.09 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -41.62 145.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 p -124.4 -168.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 4' ' ' VAL . 6.0 tp -106.0 113.43 26.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -43.28 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -176.22 175.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CZ ' ' NZ ' ' A' ' 34' ' ' LYS . 2.8 m-85 -87.61 176.22 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.74 -178.56 2.42 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 151.39 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.73 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.61 71.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.38 138.25 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 50' ' ' LEU . 14.6 p -133.53 170.34 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 64.31 116.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.2 133.49 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -80.83 132.09 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 13.95 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -20.35 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -104.01 -11.13 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.082 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -133.33 88.26 35.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.74 41.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -17.68 60.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.04 -62.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 63.79 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.05 85.83 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -64.29 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.83 55.2 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.618 1.198 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -87.33 102.3 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.351 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.14 118.39 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -147.52 108.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 135.75 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 1.5 mp -141.28 170.2 16.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 54.1 t -130.2 141.04 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 161.61 15.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -59.54 -29.6 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.07 -6.05 51.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.7 t-20 84.01 37.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -92.02 153.18 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -111.61 103.64 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CE2' ' HD1' ' A' ' 37' ' ' PHE . 48.5 m-85 -90.4 155.91 18.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.98 -1.42 25.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 1.5 p-10 -174.56 159.35 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.72 -29.48 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.48 99.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 108.241 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -37.49 76.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.415 ' HD1' ' CE2' ' A' ' 31' ' ' TYR . 78.4 t80 -61.82 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.55 -27.78 67.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 108.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.85 -46.25 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.48 -33.29 66.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.26 -42.92 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.85 -35.81 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.01 -18.45 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -93.24 13.12 22.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.45 7.17 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.74 14.89 58.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.7 m -81.15 -56.38 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' THR . 6.8 tp -40.19 146.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -131.33 176.52 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 1.5 tp -101.9 106.74 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.61 99.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 42.2 p-80 -175.03 -177.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.4 m-85 -86.74 -175.07 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.89 -167.55 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.7 151.28 32.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 108.247 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.6 106.26 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.067 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.18 68.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 5' ' ' SER . 2.5 p -136.26 164.01 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 3.6 t -175.39 154.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 50' ' ' LEU . 15.5 m -97.82 143.36 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.69 124.13 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 46.71 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -96.39 -28.64 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -129.87 67.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 1.9 m-85 179.82 88.83 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.5 Cg_endo -74.93 143.13 28.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -16.9 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -45.02 23.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 -122.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 26.0 p 41.42 74.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 108.385 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.7 p -134.1 172.62 12.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 110.392 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 77.36 -59.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.45 127.46 33.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -121.5 120.54 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -141.73 115.81 6.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.2 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 141.72 26.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.037 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD2' ' HE3' ' A' ' 34' ' ' LYS . 1.2 mp -139.95 164.48 29.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.1 t -131.51 129.9 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.34 162.79 21.74 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -57.73 -24.68 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.963 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD2' ' CD ' ' A' ' 29' ' ' LYS . 15.6 p-10 -85.54 8.71 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.8 37.86 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.31 128.63 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -95.59 109.17 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.437 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.581 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 44.6 m-85 -99.43 173.34 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.77 -1.7 7.51 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -166.58 171.04 12.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HE3' ' CD2' ' A' ' 23' ' ' LEU . 37.7 mmtm -73.08 -26.65 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.7 m -69.17 -44.88 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -63.45 -42.81 98.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' CE2' ' CD1' ' A' ' 50' ' ' LEU . 13.5 t80 -65.16 -44.4 88.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.0 m -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.67 -45.95 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.07 -41.12 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 37' ' ' PHE . 8.4 t -55.74 -47.89 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -32.6 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.36 -18.51 61.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.7 m -96.06 6.34 49.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.8 t30 80.07 11.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.26 17.88 61.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.589 1.181 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 75.9 p -90.9 -45.31 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -39.05 154.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.13 -179.22 5.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.58 108.43 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -46.07 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 54.3 p-80 -176.21 176.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.672 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.23 176.49 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.91 -149.21 50.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 153.42 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 0.705 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.43 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.4 -179.71 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.76 116.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 p -164.41 171.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t 66.32 118.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' CG1' ' CD1' ' A' ' 50' ' ' LEU . 4.2 m -100.06 127.31 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.21 129.91 36.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.9 44.74 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 108.243 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -93.51 -21.36 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.86 52.32 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.48 88.26 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.9 153.51 42.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.5 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -34.7 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' C ' ' N ' ' A' ' 17' ' ' THR . . . -108.65 -81.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' THR . 0.1 OUTLIER 45.75 26.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 15' ' ' ALA . 1.9 m 36.79 -151.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.72 19.59 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 134.45 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -123.69 119.88 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.88 108.1 6.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 147.06 33.29 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.415 1.745 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 50' ' ' LEU . 1.5 pt? -159.02 168.4 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 t -125.52 149.93 47.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.52 159.75 14.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -55.69 -28.32 54.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.7 -4.71 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.3 t-20 81.56 30.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.7 mttt -90.63 139.67 30.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 122.64 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 32.5 m-85 -117.15 156.5 27.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.14 -25.91 5.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.72 153.41 49.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -63.31 -31.28 72.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -44.13 90.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 108.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -36.38 83.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 77.6 t80 -67.58 -50.45 58.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 94.6 m -62.95 -29.73 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -62.12 -44.68 96.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -36.65 66.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 19.2 t -55.57 -46.84 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 38' ' ' CYS . 17.4 t -59.83 -31.88 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.21 -27.51 64.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.59 8.01 6.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 87.68 17.41 58.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.0 m -87.56 -45.87 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' THR . 14.3 tp -37.56 145.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -124.99 177.47 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' CD1' ' CG1' ' A' ' 6' ' ' VAL . 9.5 tt -104.38 105.93 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -50.23 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -168.58 176.59 5.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.22 175.75 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 54.79 177.57 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 151.88 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.227 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 76.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.14 128.61 38.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.15 168.45 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -154.97 168.32 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.66 133.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.9 137.12 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.68 42.23 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -87.63 -25.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.17 62.03 1.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -165.19 91.38 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.89 19.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -17.61 23.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.84 -32.83 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.49 -101.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m 42.14 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -66.88 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.93 23.16 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 101.75 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -94.23 120.09 33.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.486 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 7.2 mmm180 -143.47 108.2 5.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 134.66 18.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 21' ' ' ARG . 1.3 mp -142.27 166.08 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . 11.8 t -126.0 141.17 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.309 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.92 169.37 17.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.456 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -67.83 -17.06 64.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.34 12.25 35.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 72.11 30.6 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -85.6 126.05 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -96.05 103.39 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.512 ' OH ' ' CD2' ' A' ' 48' ' ' LEU . 48.5 m-85 -86.78 160.64 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 33' ' ' ASN . . . -122.49 -2.32 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' CG ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -162.68 159.14 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 0.719 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -69.28 -43.79 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -37.57 83.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.591 ' CE1' HG22 ' A' ' 41' ' ' VAL . 10.7 t80 -67.65 -49.21 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.12 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.6 -44.41 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.63 -36.18 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.591 HG22 ' CE1' ' A' ' 37' ' ' PHE . 32.2 t -61.15 -48.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -32.57 53.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -75.43 -17.02 60.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.22 21.5 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 m120 68.05 10.22 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 83.03 18.54 64.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 72.7 p -85.92 -47.05 10.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' CD2' ' OH ' ' A' ' 31' ' ' TYR . 6.4 tp -38.89 147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 27.7 p -130.52 175.03 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 2.1 tp -103.64 105.73 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -41.98 90.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 47.3 p-80 -174.11 179.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.5 m-85 -84.98 -179.52 7.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.97 -162.85 5.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -72.45 165.23 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.748 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.88 -162.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.476 ' C ' ' CG1' ' A' ' 4' ' ' VAL . . . 67.88 82.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.476 ' CG1' ' C ' ' A' ' 3' ' ' ALA . 1.9 m 55.99 163.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 4' ' ' VAL . 7.9 p -179.68 123.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 37' ' ' PHE . 94.2 t -125.88 128.23 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -98.64 126.47 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.7 t -132.62 10.79 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -87.51 -28.94 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 6.6 mm-40 -124.03 54.93 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 4.7 m-85 -175.93 73.69 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.52 41.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -17.87 26.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.71 18.39 13.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.8 74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -179.15 59.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 77.4 p -117.96 158.38 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.81 -55.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -66.35 99.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -95.29 120.0 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 107.43 10.64 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.5 pt? -164.25 150.89 11.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.8 t -109.5 149.22 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.84 165.07 16.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -15.84 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 15.5 p-10 -92.23 -4.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 t30 81.92 26.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.9 mttm -85.77 137.6 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -96.69 116.91 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 70.2 m-85 -113.57 151.15 32.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -105.89 -11.88 27.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 70.8 m-20 -148.49 157.85 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -27.26 58.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.41 -39.01 85.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -39.19 66.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 23' ' ' LEU . 15.9 t80 -62.6 -55.6 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -31.65 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.43 -44.21 97.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.32 -31.89 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.67 -48.05 84.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.9 t -59.61 -31.92 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.54 -19.94 60.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.69 28.42 3.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.19 10.06 7.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.18 80.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -45.64 15.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 10.9 tp -45.72 130.7 9.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.364 1.04 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.58 -167.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' A' ' 4' ' ' VAL . 12.7 tp -109.27 117.26 33.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -40.0 60.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -177.06 171.34 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.52 173.82 12.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.91 179.97 2.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.427 1.08 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 0.795 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.23 178.46 1.7 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.72 157.62 4.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.381 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.58 167.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p -158.75 151.07 21.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 m -97.87 117.08 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.02 123.62 26.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 21.66 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 p -82.57 -21.11 35.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -132.45 46.83 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -160.43 91.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.12 35.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -71.72 -18.05 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.15 9.24 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.56 78.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.63 99.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 19' ' ' GLU . 4.8 m -131.51 -131.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 1.3 mt -39.85 -29.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 17' ' ' THR . 2.2 mp0 -65.22 97.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -109.73 130.12 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 108.23 4.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -137.71 159.36 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.9 t -124.62 121.91 36.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 160.28 31.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.448 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -58.23 -24.33 58.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.771 . . . . 0.0 109.901 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 14.7 p-10 -82.45 -3.96 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 t-20 81.73 30.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -89.77 151.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -112.42 115.27 28.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 18.4 m-85 -111.28 123.21 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -1.32 86.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 19' ' ' GLU . 78.4 m-20 -163.8 156.92 18.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -64.06 -35.86 82.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 m -60.45 -44.33 95.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -35.53 80.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.9 t80 -66.5 -48.07 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' LYS . 5.1 m -63.91 -30.63 71.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.79 -43.79 98.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.61 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' GLY . 3.7 t -57.79 -48.84 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -41.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.205 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.13 -12.24 61.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.89 18.3 20.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.86 3.84 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 87.11 8.72 74.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 m -79.28 -45.08 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.447 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' CD2' ' OH ' ' A' ' 31' ' ' TYR . 1.7 tt -39.09 141.02 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 3.3 p -121.34 -170.34 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 tp -115.56 114.54 25.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 24' ' ' CYS . 44.9 p-80 -156.92 170.5 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.663 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.9 OUTLIER -82.06 176.87 9.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.3 -161.58 53.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 166.58 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 0.818 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.27 163.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.47 160.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -55.45 162.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -169.78 110.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.8 t -98.09 131.42 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.64 136.09 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -130.01 32.55 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -87.72 -26.49 22.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -135.1 55.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -159.02 79.21 2.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.76 41.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.57 -4.45 54.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.34 -125.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 57.29 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -67.69 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.12 19.23 8.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.07 96.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -93.05 119.77 32.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.578 1.174 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 2.8 mpp_? -141.89 107.29 5.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 147.33 33.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -159.05 167.07 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -118.89 149.33 41.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.79 166.36 13.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -29.68 59.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.2 m-20 -82.82 -0.09 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t30 79.03 26.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.62 127.17 34.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.21 107.21 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.345 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 6.8 m-85 -96.14 160.82 14.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.39 -28.24 6.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -141.54 166.95 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CD ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.47 -27.42 58.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -46.7 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -40.46 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' A' ' 31' ' ' TYR . 9.8 t80 -59.16 -52.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.7 -28.55 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -61.48 -44.57 96.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -34.46 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 48' ' ' LEU . 16.0 t -56.65 -47.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.85 -31.94 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.95 -15.85 60.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 p -100.89 16.95 23.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.98 6.28 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.25 16.51 53.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.7 m -86.16 -48.5 8.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 41' ' ' VAL . 3.0 tp -44.45 129.77 6.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.5 p -114.93 -174.1 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 23' ' ' LEU . 1.7 tp -104.9 106.13 16.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -45.24 85.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -178.61 172.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 54' ' ' GLY . 11.6 m-85 -76.55 171.23 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 54.3 166.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 160.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.36 55.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.87 68.49 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.491 HG23 ' CE2' ' A' ' 53' ' ' PHE . 9.0 p -137.34 167.8 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 179.4 165.22 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' HB ' ' CE1' ' A' ' 37' ' ' PHE . 64.9 t -111.09 129.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.89 25.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.57 35.37 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 108.332 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -83.62 -31.16 26.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.43 56.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -171.72 87.65 0.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.1 Cg_endo -74.9 137.02 21.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -17.62 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.14 -17.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 -123.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.398 1.061 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 55.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.266 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 2.0 m -61.26 -139.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.87 17.86 12.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -65.89 135.7 55.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.627 1.204 . . . . 0.0 110.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.0 119.62 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 33' ' ' ASN . 1.3 mmm180 -138.0 107.04 8.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.14 33.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.068 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD11 ' CD2' ' A' ' 37' ' ' PHE . 1.4 pt? -159.99 170.32 21.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -125.52 150.53 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.41 163.99 13.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -21.71 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.8 p-10 -84.15 -7.27 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.7 t-20 83.18 36.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.244 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 6.1 tttt -99.95 134.61 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -95.5 117.25 30.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 46.8 m-85 -108.72 156.07 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.01 -28.02 10.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 10.7 m-20 -144.48 160.64 40.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -27.34 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -46.28 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.92 -35.65 80.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 t80 -63.34 -51.87 64.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.5 -30.22 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.63 -42.58 99.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.75 65.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 48' ' ' LEU . 24.7 t -56.0 -46.05 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.49 -35.67 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.54 -19.33 58.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 47' ' ' THR . 1.1 m -93.54 25.41 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.39 8.41 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.383 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.94 16.15 81.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' LEU . 67.4 p -93.34 -46.08 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -39.31 144.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -125.19 -173.69 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -104.16 114.18 28.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -47.64 78.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -171.68 174.14 4.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 4' ' ' VAL . 2.3 m-85 -80.88 174.41 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 52.82 171.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -43.17 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.32 80.5 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.47 152.34 28.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 5' ' ' SER . 47.3 t 57.78 163.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.455 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 0.3 OUTLIER 178.21 131.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 37' ' ' PHE . 4.1 m -98.06 111.06 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.35 131.47 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.66 36.17 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 108.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 -16.63 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.49 22.31 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -150.75 89.13 4.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 160.89 39.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -17.22 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.23 -55.04 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.19 60.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.28 78.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 18' ' ' LEU . 3.5 t -117.82 -126.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -39.8 -29.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.7 mp0 -64.82 96.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.53 120.48 39.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.92 108.21 9.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.421 1.748 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 37' ' ' PHE . 1.8 pt? -158.68 165.01 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.0 147.78 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 108.256 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.48 163.77 14.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -62.35 -18.11 60.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.3 p-10 -88.78 -5.67 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.6 t-20 82.89 37.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 43.7 mttt -97.89 132.27 43.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -96.17 108.18 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 32.2 m-85 -102.32 156.36 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -100.08 -28.75 7.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 17.4 m-20 -141.78 157.68 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.431 ' CE ' HD13 ' A' ' 23' ' ' LEU . 26.0 mmtt -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.51 -46.34 80.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.295 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.35 -36.79 84.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 23' ' ' LEU . 21.0 t80 -65.82 -50.4 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.72 -28.87 70.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.96 -44.69 95.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.208 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.91 -41.2 64.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 37' ' ' PHE . 4.1 t -55.75 -44.61 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -76.18 -20.31 57.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 13.8 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.62 6.14 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.64 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.7 m -84.86 -56.16 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 41' ' ' VAL . 4.3 tp -39.9 136.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -120.21 179.39 4.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 37' ' ' PHE . 11.1 tp -99.58 115.37 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -47.36 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 25.1 p80 -171.7 174.72 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.99 174.59 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.5 169.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.54 131.89 7.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.65 69.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 5' ' ' SER . 7.2 p -108.1 165.43 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' N ' HG21 ' A' ' 4' ' ' VAL . 3.0 t -179.64 135.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -101.35 122.94 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.23 115.59 22.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.02 28.75 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -94.65 -24.59 17.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 mm-40 -131.08 60.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -167.16 86.02 0.81 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 158.65 41.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -18.48 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.86 13.86 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' C ' ' SG ' ' A' ' 16' ' ' CYS . . . -125.16 70.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER 174.65 109.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 108.348 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.8 m -133.23 -126.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -39.44 -34.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -65.71 111.69 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.52 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -125.88 110.65 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 147.16 33.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 1.4 mp -140.28 167.17 22.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 41.8 t -122.69 142.38 50.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -107.51 157.67 15.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 2.0 t -58.46 -29.62 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -86.75 12.42 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 72.85 35.5 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.8 149.69 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -118.51 103.98 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD2' ' HD2' ' A' ' 37' ' ' PHE . 31.3 m-85 -91.52 162.23 14.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 1.058 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.95 -23.3 6.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.28 170.77 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.45 -34.46 58.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 108.342 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -35.85 81.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 41' ' ' VAL . 4.1 t80 -64.43 -52.67 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.2 -31.36 72.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.71 64.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG23 ' CD1' ' A' ' 37' ' ' PHE . 39.8 t -63.96 -43.78 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -38.68 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.44 -11.99 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 41' ' ' VAL . 53.8 p -94.27 7.72 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.5 6.05 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.72 15.63 56.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m -81.32 -52.12 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 10.0 tp -49.26 146.32 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 17.1 p -132.57 177.7 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -106.33 107.48 18.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -41.52 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 43.2 p-80 -173.67 -175.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.6 m-85 -86.97 -174.3 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CA ' ' A' ' 23' ' ' LEU . . . 59.01 -150.03 37.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.296 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.24 50.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 175.07 178.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 p -154.39 172.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -159.37 167.89 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 37' ' ' PHE . 53.8 t -130.25 133.98 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.63 129.05 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.45 -3.42 57.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -30.28 57.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.54 -34.69 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.01 92.17 25.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.48 40.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -17.76 19.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.77 13.17 16.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.43 84.73 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.17 113.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 108.246 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -138.08 -139.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -31.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.96 103.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.83 133.03 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -143.46 115.65 5.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 146.58 32.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.74 166.45 24.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.6 t -120.88 147.65 45.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 108.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.58 163.21 12.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -63.88 -23.27 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -86.29 4.09 40.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 73.79 40.74 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -101.76 152.64 20.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -112.82 103.85 11.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 64.6 m-85 -85.32 166.76 16.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.54 -19.08 6.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.579 1.174 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -159.57 173.06 16.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' CD ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -70.91 -34.46 71.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.6 m -63.24 -46.03 88.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -63.02 -37.67 88.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 50' ' ' LEU . 64.8 t80 -63.77 -54.42 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -63.22 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.76 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.77 -33.51 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 44.6 t -58.81 -48.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.04 -41.96 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.54 -18.47 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.1 OUTLIER -96.24 21.83 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 110.043 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.7 m120 72.07 5.47 5.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 80.22 18.47 71.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 44' ' ' SER . 74.5 p -93.09 -45.62 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 0.809 . . . . 0.0 110.378 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 tp -40.17 147.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -130.69 -179.86 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 37' ' ' PHE . 5.3 tp -100.08 107.59 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -44.07 85.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 26.7 p80 -176.01 -176.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.7 m-85 -89.06 176.21 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' PRO . . . 65.74 -147.78 50.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.6 OUTLIER -101.39 144.86 29.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 1' ' ' LEU . 5.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.31 63.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 109.378 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.08 39.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 5' ' ' SER . 36.2 t 58.15 164.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.484 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -130.21 58.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' A' ' 37' ' ' PHE . 84.4 t -132.02 135.04 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -105.13 102.5 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.7 t -112.6 19.51 17.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.67 -18.88 20.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -116.58 -6.84 11.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.9 87.79 43.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 159.37 41.53 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -18.16 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.94 16.71 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.01 94.36 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.26 105.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 108.224 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' GLU . 2.9 m -131.09 -133.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.1 mp0 -65.68 97.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 2.3 t80 -112.05 126.69 55.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 20' ' ' TYR . 2.7 mmm180 -143.37 107.99 5.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.484 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -74.95 139.52 24.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -127.82 157.43 40.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 52' ' ' HIS . 37.9 t -126.26 110.08 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -77.0 146.97 32.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.2 OUTLIER -71.17 -12.77 61.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 18.2 p-10 -84.24 0.82 47.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.9 t-20 83.94 43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -119.31 149.51 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -116.27 134.69 54.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 42.6 m-85 -124.91 160.73 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -112.18 -25.68 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.48 167.3 22.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.73 -27.69 66.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.43 -36.23 73.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -67.38 -44.55 78.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.61 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 6.9 t80 -67.72 -42.98 81.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.5 t -68.18 -28.21 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 108.315 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.91 -45.4 92.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -73.21 -36.87 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' CE1' ' A' ' 37' ' ' PHE . 30.5 t -55.83 -48.29 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.33 -37.79 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.26 -17.04 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ALA . 2.0 m -97.98 12.82 32.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.68 10.29 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.57 16.83 56.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 57.3 m -87.61 -29.89 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 0.797 . . . . 0.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 2.8 tm? -38.86 136.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 27.7 p -110.51 168.48 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 37' ' ' PHE . 48.5 tp -123.49 101.11 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -37.46 87.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 17.6 p80 -175.6 179.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 5.0 m-85 -90.42 175.3 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 69.11 -158.71 53.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 154.09 20.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 108.379 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.26 120.28 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.33 67.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 5' ' ' SER . 1.9 p -61.2 149.84 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 4' ' ' VAL . 11.4 p -147.68 153.83 39.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -98.21 139.58 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.85 128.63 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.23 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.2 t -94.1 -23.62 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.04 45.88 2.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 110.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -170.52 88.1 0.51 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 153.62 41.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.552 1.817 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -59.41 -19.14 44.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.33 10.21 17.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.72 85.85 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.01 105.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' LEU . 24.7 m -138.82 -119.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -39.21 -36.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.8 pm0 -65.57 104.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.41 125.24 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -139.75 112.29 7.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.5 33.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 37' ' ' PHE . 2.0 pt? -159.87 145.95 15.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' HB3' ' OG ' ' A' ' 51' ' ' SER . 45.6 t -102.18 141.09 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.35 169.5 26.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 t -62.88 -24.65 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 18.7 p-10 -85.49 -0.79 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 8.2 t30 78.72 33.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.381 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.2 tttp -91.03 134.73 34.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.49 104.0 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 62.4 m-85 -97.8 154.6 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.04 -28.12 8.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 13.1 t-20 -146.3 167.51 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -26.75 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.3 -45.53 84.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.246 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 39' ' ' ASN . 2.1 t-20 -69.01 -34.68 75.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CD2' HD13 ' A' ' 23' ' ' LEU . 3.9 t80 -64.41 -50.72 66.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 t -63.59 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 36' ' ' ASN . 10.2 t30 -61.73 -43.72 98.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.02 -39.29 66.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.66 -42.59 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.66 -36.52 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -19.68 62.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 47' ' ' THR . 1.6 m -95.43 24.87 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.75 10.85 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.32 17.95 78.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 44' ' ' SER . 70.3 p -90.47 -47.47 7.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 3.4 tp -39.87 150.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.49 -169.0 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 110.364 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 tp -110.54 111.84 23.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 24' ' ' CYS . 77.6 p -61.25 -67.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.31 168.76 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.512 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.01 172.03 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.37 -177.62 3.38 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -68.1 145.87 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -84.99 136.08 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 24.22 5.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -94.01 -30.05 14.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.06 -29.99 13.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.07 88.82 45.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 157.74 42.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -17.99 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.06 12.7 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -133.63 75.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 100.22 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 19' ' ' GLU . 66.3 p -133.44 -137.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.35 -31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 17' ' ' THR . 5.7 mp0 -66.91 99.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -117.65 129.67 55.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -144.75 113.57 5.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 143.3 28.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.5 mp -140.35 169.44 17.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -131.26 131.42 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 160.47 23.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.2 t -59.57 -21.86 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -86.47 -3.56 59.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.2 t-20 82.74 35.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -92.42 134.13 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.88 104.75 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.791 ' OH ' HD21 ' A' ' 48' ' ' LEU . 49.4 m-85 -92.73 161.92 14.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.86 -13.31 14.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -168.85 -177.15 2.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -73.62 -28.85 62.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.7 m -70.38 -42.63 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -38.35 89.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.733 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.8 t80 -70.18 -43.04 71.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 42' ' ' VAL . 14.6 t30 -65.55 -46.16 80.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.04 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.62 HG23 HD22 ' A' ' 48' ' ' LEU . 2.6 t -56.04 -43.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.68 -38.37 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.08 -17.84 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -91.95 -15.14 28.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.4 t-20 89.04 3.93 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 18.45 19.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -93.91 -32.07 14.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.791 HD21 ' OH ' ' A' ' 31' ' ' TYR . 10.4 tt -60.55 139.22 57.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 2.8 p -122.26 173.84 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 37' ' ' PHE . 8.6 tt -101.8 110.49 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -40.21 78.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -175.88 177.86 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.656 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -91.59 175.29 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . 73.73 -149.66 41.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 148.13 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.68 136.0 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -128.48 15.17 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.5 -29.09 14.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -98.07 -29.67 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -122.63 85.97 49.13 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.94 162.35 37.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -17.73 63.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.36 16.2 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -164.03 103.4 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.58 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 76.8 p -116.36 155.78 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 82.04 -55.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -65.85 130.77 44.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -124.06 119.69 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 109.34 6.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.01 136.96 21.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.888 HD21 ' HD2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -135.7 165.06 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -130.78 130.76 44.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 164.22 24.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.65 -28.94 68.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 0.735 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 18.2 p-10 -79.34 -3.62 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.4 t30 82.54 31.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 2.1 tttm -87.43 143.06 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 112.24 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.727 ' OH ' HD21 ' A' ' 48' ' ' LEU . 45.7 m-85 -103.97 165.65 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.21 -1.41 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -165.54 158.35 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.888 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -67.76 -34.05 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -63.45 -46.72 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.434 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 2.0 t30 -61.52 -36.2 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.894 ' CE2' HD12 ' A' ' 50' ' ' LEU . 39.0 t80 -66.76 -49.39 66.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.925 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -63.5 -29.19 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.31 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -62.13 -44.99 95.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.16 67.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.609 ' CG2' HD23 ' A' ' 48' ' ' LEU . 20.2 t -56.02 -47.59 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 38' ' ' CYS . 22.4 t -62.53 -31.85 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -74.93 -26.25 59.48 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.105 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.03 21.08 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.063 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.89 9.03 7.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.03 18.0 60.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.2 m -88.31 -46.34 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -40.55 139.93 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -125.74 171.17 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.894 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.0 tp -97.62 106.54 18.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.72 96.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 22.0 p80 -175.95 -177.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.57 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.4 m-85 -95.94 176.78 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.27 166.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.24 142.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.852 HG23 HD22 ' A' ' 50' ' ' LEU . 14.7 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -115.67 136.32 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.29 28.3 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.33 -28.31 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 41.67 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -157.24 67.24 4.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 157.65 42.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -17.91 16.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -86.14 2.98 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -127.02 79.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -174.76 87.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 HD13 ' A' ' 18' ' ' LEU . 6.6 m -62.05 -129.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -91.86 27.19 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.383 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -82.9 129.94 35.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -122.46 120.09 32.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -139.35 108.31 7.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 146.68 33.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -154.92 171.38 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.1 t -127.65 144.77 51.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.58 162.71 14.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -17.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -85.19 -9.5 57.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 t-20 83.71 27.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -93.27 132.78 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.55 109.84 22.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 39.3 m-85 -98.32 160.71 14.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.34 8.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -145.55 166.64 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.6 -27.82 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.88 -45.32 86.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.309 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.83 -43.51 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 7.3 t80 -58.03 -52.97 63.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.67 69.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 42' ' ' VAL . 37.2 t30 -65.01 -45.82 83.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.49 65.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 48' ' ' LEU . 2.7 t -55.3 -44.86 77.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -59.81 -40.22 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.93 -22.56 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -92.46 18.07 9.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 71.43 6.6 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.73 14.75 62.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -84.82 -51.62 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD21 ' OH ' ' A' ' 31' ' ' TYR . 2.0 tp -41.22 142.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.5 p -129.08 -173.1 2.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 HG23 ' A' ' 6' ' ' VAL . 2.7 tp -105.24 111.6 24.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -67.4 -50.26 60.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 56.5 p-80 -166.22 176.72 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.635 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -87.35 173.3 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.85 -161.3 13.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.66 151.29 47.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.6 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -108.19 38.71 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -30.28 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.99 46.38 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -142.23 91.42 7.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.94 39.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.86 -17.91 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.04 2.57 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.93 63.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.65 105.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 18' ' ' LEU . 17.5 m -133.42 -130.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -39.43 -36.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -65.92 95.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.85 127.14 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 110.79 8.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.96 146.95 33.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.2 mp -139.18 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 49.3 t -131.66 128.87 39.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 108.23 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 164.15 24.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -59.96 -26.64 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.052 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -86.29 10.73 13.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.81 37.77 2.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -94.09 129.24 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -96.05 104.39 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.442 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 63.5 m-85 -90.18 165.82 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.05 -21.98 6.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.0 170.05 22.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -71.8 -27.83 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.02 -46.33 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -38.6 91.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 1.9 t80 -63.88 -52.76 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -28.06 69.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.468 ' O ' HG12 ' A' ' 42' ' ' VAL . 16.9 t-20 -64.05 -45.33 89.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.09 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.91 -42.29 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.67 -36.71 67.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.33 -20.18 62.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' THR . 20.8 p -91.55 -1.65 57.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER 77.94 15.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.31 17.18 63.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 44' ' ' SER . 76.5 p -85.27 -45.81 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 48' ' ' LEU . 13.9 tp -55.29 145.36 22.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -124.36 -177.12 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 12.6 tp -107.22 107.79 18.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -41.49 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 22.9 p80 -176.37 -179.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.506 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.3 m-85 -87.69 177.17 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.25 -176.37 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 22' ' ' PRO . 8.1 mtmm -66.81 145.4 55.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.351 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.558 HG11 ' HG3' ' A' ' 34' ' ' LYS . 2.5 m . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -79.01 121.2 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -104.16 -6.53 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -20.25 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.03 -14.87 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.86 85.59 16.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 155.69 42.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -20.36 57.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.78 16.09 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -163.0 101.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.36 42.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 108.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 69.5 p -91.95 142.57 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.62 -50.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.74 101.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.91 119.61 39.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 107.27 4.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.08 147.29 33.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.783 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -146.48 172.58 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.49 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 t -123.61 144.65 49.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.62 174.56 25.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.1 OUTLIER -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -97.85 2.06 48.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.2 t30 81.39 27.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.86 131.81 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.392 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -100.19 106.98 18.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 1.181 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 59.8 m-85 -97.65 163.27 12.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.94 -28.03 11.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.5 168.57 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG3' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -67.94 -27.75 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.389 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.91 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.275 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.11 -37.02 84.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 23' ' ' LEU . 53.6 t80 -62.23 -52.73 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -27.99 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 t-20 -61.98 -44.97 95.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.19 -37.74 66.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.361 1.038 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 48' ' ' LEU . 12.4 t -55.69 -46.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -39.03 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -19.01 60.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -94.69 19.58 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.42 9.62 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 85.85 15.08 66.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.8 m -81.71 -55.48 4.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -40.4 138.83 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 5.7 p -125.09 176.92 6.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.783 HD13 HD12 ' A' ' 23' ' ' LEU . 5.4 tp -99.93 111.35 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -55.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.479 ' CD2' ' HB3' ' A' ' 24' ' ' CYS . 12.0 p80 -161.37 176.8 10.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -85.82 177.12 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 51.8 174.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 147.5 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.94 118.93 25.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 40.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -88.77 -30.64 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.89 59.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 4.5 m-85 -175.02 80.19 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.66 42.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -20.93 64.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 1.64 31.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 90.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -174.09 61.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 108.226 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 p -125.08 149.89 47.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 80.13 -54.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 2.6 mp0 -65.96 122.04 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.65 119.57 34.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 23' ' ' LEU . 16.0 mtm180 -138.98 107.95 7.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.07 144.34 29.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.82 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.789 HD21 ' CE ' ' A' ' 34' ' ' LYS . 2.7 mp -141.75 169.56 17.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.29 127.75 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.27 165.56 29.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -61.75 -26.47 68.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.79 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.889 ' OD1' HD11 ' A' ' 48' ' ' LEU . 11.8 p-10 -89.93 14.63 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 68.74 35.3 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 12.6 tttt -85.86 126.43 34.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.56 103.9 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.755 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 52.5 m-85 -93.68 161.13 14.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.18 -1.9 16.13 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 4.7 m-20 -164.38 165.42 21.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.789 ' CE ' HD21 ' A' ' 23' ' ' LEU . 11.6 mmtt -74.77 -39.99 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 3.3 p -61.31 -46.6 89.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.423 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -60.49 -43.17 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t80 -60.19 -49.42 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 t-20 -65.87 -45.1 83.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.78 -33.14 66.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.23 -44.62 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -60.39 -41.54 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.611 1.194 . . . . 0.0 109.245 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.43 -14.79 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.24 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -95.41 15.82 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.04 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 7.2 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.82 65.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -86.11 -48.52 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.889 HD11 ' OD1' ' A' ' 27' ' ' ASP . 8.6 tp -39.92 145.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 p -131.16 179.87 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 3.3 tp -106.89 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -37.63 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' HD11 ' A' ' 50' ' ' LEU . 20.8 p80 -175.71 -179.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.8 m-85 -86.88 177.12 7.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.84 172.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -53.14 166.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 37' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.49 102.71 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -101.48 43.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.6 m -90.37 -29.65 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.61 52.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -154.11 76.72 5.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.674 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 151.82 40.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.71 -18.44 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.42 8.0 38.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -145.18 58.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -151.8 -105.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' GLU . 9.4 p 52.58 172.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp 69.99 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.6 pt-20 -65.95 135.54 54.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 118.9 29.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -137.92 108.31 8.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 146.97 33.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD12 HD13 ' A' ' 50' ' ' LEU . 2.1 pt? -166.0 164.63 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.457 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.6 t -127.0 144.72 50.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.54 165.94 16.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -27.01 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 43.1 p-10 -76.7 -6.65 53.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.9 t-20 79.03 24.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 19.4 tttt -85.78 140.71 30.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.19 121.72 38.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.9 m-85 -115.65 151.96 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.46 -1.61 43.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 23.0 m-20 -165.58 160.62 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.252 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.1 mmtt -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.84 -41.57 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 108.276 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.56 -37.09 76.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CB ' HD11 ' A' ' 23' ' ' LEU . 30.0 t80 -64.83 -51.74 60.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.991 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 t -62.97 -30.07 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -61.55 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.81 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.583 ' CG2' HD23 ' A' ' 48' ' ' LEU . 14.8 t -57.32 -44.6 84.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 38' ' ' CYS . 4.8 t -59.53 -32.67 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 -16.92 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' THR . 3.3 m -101.54 28.68 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.575 ' HB2' HG23 ' A' ' 47' ' ' THR . 65.5 m-80 61.89 13.99 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 76.83 14.59 82.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 45' ' ' ASN . 43.8 p -83.24 -50.09 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' CG2' ' A' ' 41' ' ' VAL . 1.4 tp -41.62 145.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 p -124.4 -168.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.782 HD13 HD12 ' A' ' 23' ' ' LEU . 6.0 tp -106.0 113.43 26.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -43.28 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -176.22 175.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.424 ' CZ ' ' NZ ' ' A' ' 34' ' ' LYS . 2.8 m-85 -87.61 176.22 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.74 -178.56 2.42 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 151.39 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.73 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 37' ' ' PHE . 1.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -80.83 132.09 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 13.95 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -20.35 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -104.01 -11.13 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.082 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -133.33 88.26 35.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.74 41.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -17.68 60.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.04 -62.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 63.79 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.05 85.83 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -64.29 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.83 55.2 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.618 1.198 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -87.33 102.3 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.351 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.14 118.39 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.3 mpt_? -147.52 108.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.04 135.75 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.815 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.5 mp -141.28 170.2 16.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 54.1 t -130.2 141.04 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 161.61 15.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -59.54 -29.6 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.07 -6.05 51.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.7 t-20 84.01 37.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.0 ttpt -92.02 153.18 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 55' ' ' LYS . 1.9 m -111.61 103.64 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 48.5 m-85 -90.4 155.91 18.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.98 -1.42 25.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 1.5 p-10 -174.56 159.35 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.815 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.72 -29.48 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.48 99.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 108.241 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -37.49 76.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 78.4 t80 -61.82 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.55 -27.78 67.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 108.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.4 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.2 t-20 -68.85 -46.25 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.48 -33.29 66.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.26 -42.92 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.85 -35.81 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.01 -18.45 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -93.24 13.12 22.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.45 7.17 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.74 14.89 58.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.7 m -81.15 -56.38 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 48' ' ' LEU . 6.8 tp -40.19 146.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -131.33 176.52 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 1.5 tp -101.9 106.74 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.61 99.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 24' ' ' CYS . 12.1 p80 -175.03 -177.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.4 m-85 -86.74 -175.07 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.89 -167.55 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD2' HG23 ' A' ' 30' ' ' THR . 0.7 OUTLIER -78.7 151.28 32.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 108.247 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.674 HG13 HD13 ' A' ' 50' ' ' LEU . 15.5 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.69 124.13 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 46.71 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -96.39 -28.64 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -129.87 67.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 1.9 m-85 179.82 88.83 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.93 143.13 28.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -16.9 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -45.02 23.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 17' ' ' THR . . . -88.73 -122.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 26.0 p 41.42 74.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 108.385 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 15' ' ' ALA . 41.7 p -134.1 172.62 12.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 110.392 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 77.36 -59.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.45 127.46 33.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -121.5 120.54 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -141.73 115.81 6.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.2 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.6 Cg_endo -75.02 141.72 26.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.037 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.835 HD21 ' HE3' ' A' ' 34' ' ' LYS . 1.2 mp -139.95 164.48 29.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 31.1 t -131.51 129.9 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.34 162.79 21.74 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -57.73 -24.68 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.963 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.752 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.6 p-10 -85.54 8.71 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.8 37.86 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.31 128.63 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -95.59 109.17 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.437 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 44.6 m-85 -99.43 173.34 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.77 -1.7 7.51 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -166.58 171.04 12.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HE3' HD21 ' A' ' 23' ' ' LEU . 37.7 mmtm -73.08 -26.65 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.7 m -69.17 -44.88 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -63.45 -42.81 98.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.052 ' CE2' HD12 ' A' ' 50' ' ' LEU . 13.5 t80 -65.16 -44.4 88.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.0 m -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.67 -45.95 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -73.07 -41.12 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 37' ' ' PHE . 8.4 t -55.74 -47.89 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -32.6 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.36 -18.51 61.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.7 m -96.06 6.34 49.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.8 t30 80.07 11.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.26 17.88 61.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.589 1.181 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 75.9 p -90.9 -45.31 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -39.05 154.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.13 -179.22 5.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.052 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.58 108.43 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -46.07 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 54.3 p-80 -176.21 176.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.672 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.23 176.49 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.91 -149.21 50.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 153.42 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 0.705 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 50' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.21 129.91 36.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.9 44.74 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 108.243 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -93.51 -21.36 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.86 52.32 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.48 88.26 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.7 Cg_endo -74.9 153.51 42.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.5 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -34.7 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -108.65 -81.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' THR . 0.1 OUTLIER 45.75 26.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.489 HG22 ' H ' ' A' ' 18' ' ' LEU . 1.9 m 36.79 -151.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -107.72 19.59 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 134.45 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -123.69 119.88 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.88 108.1 6.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 147.06 33.29 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.415 1.745 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 50' ' ' LEU . 1.5 pt? -159.02 168.4 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.7 t -125.52 149.93 47.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.52 159.75 14.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -55.69 -28.32 54.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 48' ' ' LEU . 17.6 p-10 -77.7 -4.71 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.3 t-20 81.56 30.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.7 mttt -90.63 139.67 30.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 122.64 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.5 m-85 -117.15 156.5 27.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.14 -25.91 5.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.72 153.41 49.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -63.31 -31.28 72.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -44.13 90.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 108.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -36.38 83.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 77.6 t80 -67.58 -50.45 58.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 42' ' ' VAL . 94.6 m -62.95 -29.73 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -62.12 -44.68 96.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -36.65 66.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 46' ' ' GLY . 19.2 t -55.57 -46.84 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' CYS . 17.4 t -59.83 -31.88 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.21 -27.51 64.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.59 8.01 6.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 87.68 17.41 58.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.0 m -87.56 -45.87 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.68 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.3 tp -37.56 145.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.99 177.47 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 23' ' ' LEU . 9.5 tt -104.38 105.93 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -50.23 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -168.58 176.59 5.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.22 175.75 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 54.79 177.57 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 151.88 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.227 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.9 137.12 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.68 42.23 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -87.63 -25.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.17 62.03 1.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -165.19 91.38 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 135.89 19.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -17.61 23.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.84 -32.83 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 12' ' ' PRO . . . -79.49 -101.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m 42.14 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -66.88 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.93 23.16 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 101.75 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -94.23 120.09 33.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 23' ' ' LEU . 7.2 mmm180 -143.47 108.2 5.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.98 134.66 18.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.771 HD21 ' HE2' ' A' ' 34' ' ' LYS . 1.3 mp -142.27 166.08 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . 11.8 t -126.0 141.17 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.309 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.92 169.37 17.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.456 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -67.83 -17.06 64.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' OD2' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -98.34 12.25 35.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 72.11 30.6 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -85.6 126.05 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -96.05 103.39 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 48' ' ' LEU . 48.5 m-85 -86.78 160.64 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 33' ' ' ASN . . . -122.49 -2.32 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' CG ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -162.68 159.14 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 0.719 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.771 ' HE2' HD21 ' A' ' 23' ' ' LEU . 25.7 mmtt -69.28 -43.79 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -37.57 83.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 10.7 t80 -67.65 -49.21 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.12 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.6 -44.41 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.63 -36.18 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 37' ' ' PHE . 32.2 t -61.15 -48.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -32.57 53.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -75.43 -17.02 60.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -102.22 21.5 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.596 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 68.05 10.22 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 83.03 18.54 64.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 45' ' ' ASN . 72.7 p -85.92 -47.05 10.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 31' ' ' TYR . 6.4 tp -38.89 147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.533 ' H ' HD12 ' A' ' 48' ' ' LEU . 27.7 p -130.52 175.03 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 2.1 tp -103.64 105.73 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -41.98 90.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 47.3 p-80 -174.11 179.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.5 m-85 -84.98 -179.52 7.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.97 -162.85 5.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -72.45 165.23 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.748 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.606 ' CG2' HD22 ' A' ' 50' ' ' LEU . 94.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -98.64 126.47 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.7 t -132.62 10.79 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -87.51 -28.94 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 6.6 mm-40 -124.03 54.93 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 4.7 m-85 -175.93 73.69 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.52 41.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -17.87 26.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.71 18.39 13.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.8 74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -179.15 59.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 77.4 p -117.96 158.38 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.81 -55.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -66.35 99.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -95.29 120.0 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CB ' ' HE2' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -134.84 107.43 10.64 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.98 147.32 33.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.915 HD12 HD13 ' A' ' 50' ' ' LEU . 1.5 pt? -164.25 150.89 11.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' ' 50' ' ' LEU . 3.8 t -109.5 149.22 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.84 165.07 16.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -15.84 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.922 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.5 p-10 -92.23 -4.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 t30 81.92 26.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.9 mttm -85.77 137.6 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -96.69 116.91 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 70.2 m-85 -113.57 151.15 32.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -105.89 -11.88 27.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 70.8 m-20 -148.49 157.85 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.42 -27.26 58.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.41 -39.01 85.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -39.19 66.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.9 t80 -62.6 -55.6 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.81 -31.65 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.43 -44.21 97.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.32 -31.89 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' PHE . 24.9 t -57.67 -48.05 84.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 38' ' ' CYS . 23.9 t -59.61 -31.92 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.54 -19.94 60.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -97.69 28.42 3.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.19 10.06 7.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.18 80.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -45.64 15.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 27' ' ' ASP . 10.9 tp -45.72 130.7 9.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.364 1.04 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.58 -167.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 tp -109.27 117.26 33.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -40.0 60.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -177.06 171.34 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.52 173.82 12.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.91 179.97 2.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.427 1.08 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 0.795 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' VAL . 19.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.02 123.62 26.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 21.66 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 p -82.57 -21.11 35.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -132.45 46.83 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -160.43 91.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.12 35.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -71.72 -18.05 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.15 9.24 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.56 78.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.63 99.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 19' ' ' GLU . 4.8 m -131.51 -131.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 1.3 mt -39.85 -29.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 17' ' ' THR . 2.2 mp0 -65.22 97.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -109.73 130.12 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 108.23 4.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -137.71 159.36 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.545 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 1.9 t -124.62 121.91 36.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 160.28 31.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -58.23 -24.33 58.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.771 . . . . 0.0 109.901 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.788 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.7 p-10 -82.45 -3.96 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 t-20 81.73 30.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -89.77 151.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -112.42 115.27 28.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 18.4 m-85 -111.28 123.21 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -1.32 86.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 19' ' ' GLU . 78.4 m-20 -163.8 156.92 18.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HE2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.06 -35.86 82.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 m -60.45 -44.33 95.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -35.53 80.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.9 t80 -66.5 -48.07 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' LYS . 5.1 m -63.91 -30.63 71.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -61.79 -43.79 98.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.61 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 48' ' ' LEU . 3.7 t -57.79 -48.84 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -41.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.205 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.13 -12.24 61.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.89 18.3 20.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.86 3.84 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 87.11 8.72 74.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 m -79.28 -45.08 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.447 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.788 HD11 ' CG ' ' A' ' 27' ' ' ASP . 1.7 tt -39.09 141.02 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 3.3 p -121.34 -170.34 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 24' ' ' CYS . 11.3 tp -115.56 114.54 25.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.545 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 11.3 p80 -156.92 170.5 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.663 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.06 176.87 9.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.3 -161.58 53.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 166.58 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 0.818 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.741 HG21 HD13 ' A' ' 50' ' ' LEU . 76.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.64 136.09 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -130.01 32.55 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -87.72 -26.49 22.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -135.1 55.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -159.02 79.21 2.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.76 41.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.57 -4.45 54.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.34 -125.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 57.29 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -67.69 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.12 19.23 8.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 21' ' ' ARG . 1.9 mp0 -69.07 96.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -93.05 119.77 32.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.578 1.174 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.8 mpp_? -141.89 107.29 5.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.99 147.33 33.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -159.05 167.07 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' CYS . 8.2 t -118.89 149.33 41.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.79 166.36 13.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -29.68 59.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.759 ' OD1' HD12 ' A' ' 48' ' ' LEU . 1.2 m-20 -82.82 -0.09 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t30 79.03 26.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.62 127.17 34.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.21 107.21 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.345 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.811 ' OH ' HD21 ' A' ' 48' ' ' LEU . 6.8 m-85 -96.14 160.82 14.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.39 -28.24 6.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -141.54 166.95 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -27.42 58.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -46.7 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -40.46 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' A' ' 31' ' ' TYR . 9.8 t80 -59.16 -52.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.1 t -63.7 -28.55 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -61.48 -44.57 96.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -34.46 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 48' ' ' LEU . 16.0 t -56.65 -47.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 38' ' ' CYS . 6.4 t -59.85 -31.94 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.95 -15.85 60.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 p -100.89 16.95 23.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.98 6.28 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.25 16.51 53.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 49' ' ' THR . 78.7 m -86.16 -48.5 8.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.811 HD21 ' OH ' ' A' ' 31' ' ' TYR . 3.0 tp -44.45 129.77 6.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 47' ' ' THR . 72.5 p -114.93 -174.1 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.741 HD13 HG21 ' A' ' 6' ' ' VAL . 1.7 tp -104.9 106.13 16.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -45.24 85.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -178.61 172.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 54' ' ' GLY . 11.6 m-85 -76.55 171.23 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 54.3 166.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 160.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.638 HG23 HD22 ' A' ' 50' ' ' LEU . 64.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.89 25.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.57 35.37 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 108.332 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -83.62 -31.16 26.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.43 56.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -171.72 87.65 0.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.1 Cg_endo -74.9 137.02 21.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -17.62 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.14 -17.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 -123.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.398 1.061 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 55.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.266 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.434 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 2.0 m -61.26 -139.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.87 17.86 12.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -65.89 135.7 55.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.627 1.204 . . . . 0.0 110.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.0 119.62 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -138.0 107.04 8.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 147.14 33.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 37' ' ' PHE . 1.4 pt? -159.99 170.32 21.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.5 t -125.52 150.53 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.41 163.99 13.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -21.71 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.707 ' OD1' HD11 ' A' ' 48' ' ' LEU . 20.8 p-10 -84.15 -7.27 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.7 t-20 83.18 36.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.244 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 6.1 tttt -99.95 134.61 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -95.5 117.25 30.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 46.8 m-85 -108.72 156.07 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.01 -28.02 10.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 10.7 m-20 -144.48 160.64 40.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -27.34 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -46.28 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.92 -35.65 80.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.653 ' CG ' HD11 ' A' ' 23' ' ' LEU . 27.2 t80 -63.34 -51.87 64.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.9 t -62.5 -30.22 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.63 -42.58 99.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.75 65.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.972 HG22 HD23 ' A' ' 48' ' ' LEU . 24.7 t -56.0 -46.05 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' CYS . 20.9 t -59.49 -35.67 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.54 -19.33 58.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -93.54 25.41 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 69.39 8.41 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.383 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.94 16.15 81.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 45' ' ' ASN . 67.4 p -93.34 -46.08 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.31 144.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -125.19 -173.69 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -104.16 114.18 28.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -47.64 78.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -171.68 174.14 4.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' GLY . 2.3 m-85 -80.88 174.41 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 52.82 171.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -43.17 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.753 ' CG1' HD22 ' A' ' 50' ' ' LEU . 4.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.35 131.47 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.66 36.17 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 108.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 -16.63 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.49 22.31 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -150.75 89.13 4.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.7 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.08 160.89 39.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -17.22 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.23 -55.04 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -72.19 60.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.28 78.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 18' ' ' LEU . 3.5 t -117.82 -126.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' N ' HG23 ' A' ' 17' ' ' THR . 0.4 OUTLIER -39.8 -29.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.7 mp0 -64.82 96.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.53 120.48 39.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.92 108.21 9.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.421 1.748 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD13 ' A' ' 50' ' ' LEU . 1.8 pt? -158.68 165.01 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 t -122.0 147.78 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 108.256 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.48 163.77 14.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -62.35 -18.11 60.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.3 p-10 -88.78 -5.67 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER 82.89 37.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 43.7 mttt -97.89 132.27 43.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -96.17 108.18 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.2 m-85 -102.32 156.36 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -100.08 -28.75 7.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 17.4 m-20 -141.78 157.68 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.0 mmtt -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.51 -46.34 80.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.295 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.35 -36.79 84.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 21.0 t80 -65.82 -50.4 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.72 -28.87 70.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.96 -44.69 95.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.208 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.91 -41.2 64.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 37' ' ' PHE . 4.1 t -55.75 -44.61 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -76.18 -20.31 57.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 13.8 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.62 6.14 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.64 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.7 m -84.86 -56.16 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.67 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -39.9 136.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -120.21 179.39 4.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD13 HD12 ' A' ' 23' ' ' LEU . 11.1 tp -99.58 115.37 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -47.36 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 25.1 p80 -171.7 174.72 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.99 174.59 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.5 169.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.467 HG13 HD22 ' A' ' 50' ' ' LEU . 27.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.23 115.59 22.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.02 28.75 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -94.65 -24.59 17.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 mm-40 -131.08 60.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -167.16 86.02 0.81 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 158.65 41.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -18.48 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.86 13.86 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -125.16 70.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER 174.65 109.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 108.348 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.8 m -133.23 -126.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -39.44 -34.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -65.71 111.69 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.52 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -125.88 110.65 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.08 147.16 33.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' CD ' ' A' ' 34' ' ' LYS . 1.4 mp -140.28 167.17 22.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 41.8 t -122.69 142.38 50.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -107.51 157.67 15.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.455 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 2.0 t -58.46 -29.62 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -86.75 12.42 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 72.85 35.5 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -85.8 149.69 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -118.51 103.98 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 31.3 m-85 -91.52 162.23 14.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 1.058 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.95 -23.3 6.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.28 170.77 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.82 ' CD ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.45 -34.46 58.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 108.342 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -35.85 81.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -64.43 -52.67 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.2 -31.36 72.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.71 64.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.799 HG21 ' CE1' ' A' ' 37' ' ' PHE . 39.8 t -63.96 -43.78 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -38.68 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.44 -11.99 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -94.27 7.72 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.5 6.05 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.72 15.63 56.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m -81.32 -52.12 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 10.0 tp -49.26 146.32 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 17.1 p -132.57 177.7 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.33 107.48 18.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -41.52 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 24' ' ' CYS . 12.5 p80 -173.67 -175.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.6 m-85 -86.97 -174.3 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CA ' ' A' ' 23' ' ' LEU . . . 59.01 -150.03 37.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.296 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.693 ' CG2' HD22 ' A' ' 50' ' ' LEU . 53.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.63 129.05 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.45 -3.42 57.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -30.28 57.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.54 -34.69 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.01 92.17 25.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 152.48 40.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -17.76 19.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.77 13.17 16.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -128.43 84.73 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.17 113.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 108.246 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -138.08 -139.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -31.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.96 103.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.83 133.03 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -143.46 115.65 5.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 146.58 32.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.902 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.74 166.45 24.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.6 t -120.88 147.65 45.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 108.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.58 163.21 12.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -63.88 -23.27 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' HD21 ' A' ' 48' ' ' LEU . 19.9 p-10 -86.29 4.09 40.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.79 40.74 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -101.76 152.64 20.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -112.82 103.85 11.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 64.6 m-85 -85.32 166.76 16.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.54 -19.08 6.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.579 1.174 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -159.57 173.06 16.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -34.46 71.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.6 m -63.24 -46.03 88.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -63.02 -37.67 88.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 41' ' ' VAL . 64.8 t80 -63.77 -54.42 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.657 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.7 t -63.22 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.77 -33.51 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 37' ' ' PHE . 44.6 t -58.81 -48.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 38' ' ' CYS . 86.5 t -59.04 -41.96 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.54 -18.47 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.24 21.83 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 110.043 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 72.07 5.47 5.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 80.22 18.47 71.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 45' ' ' ASN . 74.5 p -93.09 -45.62 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 0.809 . . . . 0.0 110.378 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 44' ' ' SER . 5.7 tp -40.17 147.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -130.69 -179.86 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' HB3' ' A' ' 23' ' ' LEU . 5.3 tp -100.08 107.59 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -44.07 85.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 26.7 p80 -176.01 -176.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.7 m-85 -89.06 176.21 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' PRO . . . 65.74 -147.78 50.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.6 OUTLIER -101.39 144.86 29.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.757 HG21 ' CE1' ' A' ' 37' ' ' PHE . 84.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -105.13 102.5 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.7 t -112.6 19.51 17.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.67 -18.88 20.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -116.58 -6.84 11.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.9 87.79 43.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.97 159.37 41.53 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -18.16 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.94 16.71 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -147.01 94.36 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.26 105.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 108.224 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' GLU . 2.9 m -131.09 -133.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.1 mp0 -65.68 97.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 2.3 t80 -112.05 126.69 55.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 20' ' ' TYR . 2.7 mmm180 -143.37 107.99 5.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.941 ' O ' HD13 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -74.95 139.52 24.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -127.82 157.43 40.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 50' ' ' LEU . 37.9 t -126.26 110.08 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -77.0 146.97 32.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.2 OUTLIER -71.17 -12.77 61.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 48' ' ' LEU . 18.2 p-10 -84.24 0.82 47.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.9 t-20 83.94 43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -119.31 149.51 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -116.27 134.69 54.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 42.6 m-85 -124.91 160.73 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -112.18 -25.68 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.48 167.3 22.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.73 -27.69 66.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.43 -36.23 73.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -67.38 -44.55 78.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.779 ' CE2' HD13 ' A' ' 50' ' ' LEU . 6.9 t80 -67.72 -42.98 81.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.896 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 t -68.18 -28.21 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 108.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.91 -45.4 92.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -73.21 -36.87 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 48' ' ' LEU . 30.5 t -55.83 -48.29 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 38' ' ' CYS . 25.8 t -63.33 -37.79 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.26 -17.04 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ALA . 2.0 m -97.98 12.82 32.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.68 10.29 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 41' ' ' VAL . . . 89.57 16.83 56.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 57.3 m -87.61 -29.89 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 0.797 . . . . 0.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.8 tm? -38.86 136.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 48' ' ' LEU . 27.7 p -110.51 168.48 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' CE2' ' A' ' 37' ' ' PHE . 48.5 tp -123.49 101.11 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -37.46 87.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 17.6 p80 -175.6 179.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 5.0 m-85 -90.42 175.3 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 69.11 -158.71 53.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -87.68 154.09 20.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 108.379 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.932 HG23 HD22 ' A' ' 50' ' ' LEU . 5.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.85 128.63 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.23 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.2 t -94.1 -23.62 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.04 45.88 2.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 110.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -170.52 88.1 0.51 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 153.62 41.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.552 1.817 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -59.41 -19.14 44.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.33 10.21 17.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -135.72 85.85 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.01 105.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' LEU . 24.7 m -138.82 -119.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -39.21 -36.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.8 pm0 -65.57 104.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.41 125.24 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -139.75 112.29 7.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 147.5 33.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 50' ' ' LEU . 2.0 pt? -159.87 145.95 15.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 50' ' ' LEU . 45.6 t -102.18 141.09 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.35 169.5 26.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 13.1 t -62.88 -24.65 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.673 ' CG ' HD11 ' A' ' 48' ' ' LEU . 18.7 p-10 -85.49 -0.79 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 8.2 t30 78.72 33.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.381 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.2 tttp -91.03 134.73 34.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.49 104.0 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 62.4 m-85 -97.8 154.6 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.04 -28.12 8.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 13.1 t-20 -146.3 167.51 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -26.75 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.3 -45.53 84.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.246 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ASN . 2.1 t-20 -69.01 -34.68 75.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.604 ' CE1' HG21 ' A' ' 41' ' ' VAL . 3.9 t80 -64.41 -50.72 66.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 t -63.59 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.2 t30 -61.73 -43.72 98.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.02 -39.29 66.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.66 -42.59 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -36.52 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -19.68 62.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 1.6 m -95.43 24.87 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.483 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 67.75 10.85 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.32 17.95 78.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.483 HG23 ' HB3' ' A' ' 45' ' ' ASN . 70.3 p -90.47 -47.47 7.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD11 ' CG ' ' A' ' 27' ' ' ASP . 3.4 tp -39.87 150.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 26' ' ' SER . 1.0 OUTLIER -126.49 -169.0 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.932 HD22 HG23 ' A' ' 6' ' ' VAL . 3.7 tp -110.54 111.84 23.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 24' ' ' CYS . 77.6 p -61.25 -67.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.31 168.76 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.512 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.01 172.03 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.37 -177.62 3.38 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -68.1 145.87 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.28 81.39 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.23 121.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 5' ' ' SER . 73.5 t -118.07 160.48 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' N ' HG12 ' A' ' 4' ' ' VAL . 60.0 p -158.26 126.84 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m -100.1 111.58 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -84.99 136.08 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 24.22 5.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -94.01 -30.05 14.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.06 -29.99 13.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.07 88.82 45.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 157.74 42.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -17.99 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.06 12.7 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -133.63 75.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 100.22 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 19' ' ' GLU . 66.3 p -133.44 -137.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.35 -31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 17' ' ' THR . 5.7 mp0 -66.91 99.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -117.65 129.67 55.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -144.75 113.57 5.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 143.3 28.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.5 mp -140.35 169.44 17.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -131.26 131.42 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 160.47 23.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.2 t -59.57 -21.86 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -86.47 -3.56 59.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.2 t-20 82.74 35.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -92.42 134.13 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.88 104.75 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.791 ' OH ' HD21 ' A' ' 48' ' ' LEU . 49.4 m-85 -92.73 161.92 14.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.86 -13.31 14.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -168.85 -177.15 2.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -73.62 -28.85 62.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.7 m -70.38 -42.63 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -38.35 89.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.733 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.8 t80 -70.18 -43.04 71.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 42' ' ' VAL . 14.6 t30 -65.55 -46.16 80.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.04 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.62 HG23 HD22 ' A' ' 48' ' ' LEU . 2.6 t -56.04 -43.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.68 -38.37 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.08 -17.84 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -91.95 -15.14 28.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.4 t-20 89.04 3.93 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 18.45 19.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -93.91 -32.07 14.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.791 HD21 ' OH ' ' A' ' 31' ' ' TYR . 10.4 tt -60.55 139.22 57.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 2.8 p -122.26 173.84 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 37' ' ' PHE . 8.6 tt -101.8 110.49 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -40.21 78.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -175.88 177.86 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.656 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -91.59 175.29 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . 73.73 -149.66 41.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 148.13 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.04 79.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.4 62.22 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 m -59.76 166.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -128.86 141.95 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.6 t -98.04 134.04 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.68 136.0 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -128.48 15.17 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.5 -29.09 14.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -98.07 -29.67 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -122.63 85.97 49.13 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.94 162.35 37.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -17.73 63.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.36 16.2 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -164.03 103.4 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.58 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 76.8 p -116.36 155.78 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 82.04 -55.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -65.85 130.77 44.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -124.06 119.69 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 109.34 6.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.01 136.96 21.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.888 HD21 ' HD2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -135.7 165.06 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -130.78 130.76 44.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 164.22 24.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.65 -28.94 68.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 0.735 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 18.2 p-10 -79.34 -3.62 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.4 t30 82.54 31.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 2.1 tttm -87.43 143.06 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 112.24 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.727 ' OH ' HD21 ' A' ' 48' ' ' LEU . 45.7 m-85 -103.97 165.65 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.21 -1.41 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -165.54 158.35 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.888 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -67.76 -34.05 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -63.45 -46.72 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.434 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 2.0 t30 -61.52 -36.2 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.894 ' CE2' HD12 ' A' ' 50' ' ' LEU . 39.0 t80 -66.76 -49.39 66.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.925 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -63.5 -29.19 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.31 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -62.13 -44.99 95.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.16 67.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.609 ' CG2' HD23 ' A' ' 48' ' ' LEU . 20.2 t -56.02 -47.59 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 38' ' ' CYS . 22.4 t -62.53 -31.85 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -74.93 -26.25 59.48 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.105 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.03 21.08 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.063 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.89 9.03 7.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.03 18.0 60.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.2 m -88.31 -46.34 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -40.55 139.93 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -125.74 171.17 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.894 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.0 tp -97.62 106.54 18.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.72 96.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 22.0 p80 -175.95 -177.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.57 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.4 m-85 -95.94 176.78 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.27 166.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.24 142.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.57 44.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.38 75.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.823 HG13 HD23 ' A' ' 50' ' ' LEU . 5.6 p -49.78 166.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 1.077 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 4' ' ' VAL . 74.3 m -123.62 143.71 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.852 HG23 HD22 ' A' ' 50' ' ' LEU . 14.7 t -98.43 134.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -115.67 136.32 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.29 28.3 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.33 -28.31 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 41.67 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -157.24 67.24 4.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 157.65 42.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -17.91 16.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -86.14 2.98 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -127.02 79.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -174.76 87.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 HD13 ' A' ' 18' ' ' LEU . 6.6 m -62.05 -129.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -91.86 27.19 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.383 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -82.9 129.94 35.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -122.46 120.09 32.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -139.35 108.31 7.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 146.68 33.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -154.92 171.38 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.1 t -127.65 144.77 51.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.58 162.71 14.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -17.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -85.19 -9.5 57.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 t-20 83.71 27.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -93.27 132.78 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.55 109.84 22.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 39.3 m-85 -98.32 160.71 14.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.34 8.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -145.55 166.64 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.6 -27.82 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.88 -45.32 86.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.309 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.83 -43.51 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 7.3 t80 -58.03 -52.97 63.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.67 69.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 42' ' ' VAL . 37.2 t30 -65.01 -45.82 83.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.49 65.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 48' ' ' LEU . 2.7 t -55.3 -44.86 77.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -59.81 -40.22 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.93 -22.56 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -92.46 18.07 9.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 71.43 6.6 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.73 14.75 62.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -84.82 -51.62 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD21 ' OH ' ' A' ' 31' ' ' TYR . 2.0 tp -41.22 142.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.5 p -129.08 -173.1 2.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 HG23 ' A' ' 6' ' ' VAL . 2.7 tp -105.24 111.6 24.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -67.4 -50.26 60.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 56.5 p-80 -166.22 176.72 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.635 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' HE1' HG11 ' A' ' 4' ' ' VAL . 6.4 m-85 -87.35 173.3 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.85 -161.3 13.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.66 151.29 47.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.14 89.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.91 142.93 52.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 50' ' ' LEU . 32.7 m -55.31 161.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -159.6 149.9 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.93 149.32 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.6 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -108.19 38.71 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -30.28 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.99 46.38 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -142.23 91.42 7.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.94 39.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.86 -17.91 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.04 2.57 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.93 63.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.65 105.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 18' ' ' LEU . 17.5 m -133.42 -130.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -39.43 -36.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -65.92 95.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.85 127.14 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 110.79 8.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.96 146.95 33.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.2 mp -139.18 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 49.3 t -131.66 128.87 39.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 108.23 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 164.15 24.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -59.96 -26.64 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.052 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -86.29 10.73 13.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.81 37.77 2.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -94.09 129.24 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -96.05 104.39 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.442 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 63.5 m-85 -90.18 165.82 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.05 -21.98 6.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.0 170.05 22.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -71.8 -27.83 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.02 -46.33 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -38.6 91.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 1.9 t80 -63.88 -52.76 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -28.06 69.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.468 ' O ' HG12 ' A' ' 42' ' ' VAL . 16.9 t-20 -64.05 -45.33 89.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.09 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.91 -42.29 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.67 -36.71 67.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.33 -20.18 62.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' THR . 20.8 p -91.55 -1.65 57.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.5 OUTLIER 77.94 15.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.31 17.18 63.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 44' ' ' SER . 76.5 p -85.27 -45.81 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 48' ' ' LEU . 13.9 tp -55.29 145.36 22.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -124.36 -177.12 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 12.6 tp -107.22 107.79 18.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -41.49 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 22.9 p80 -176.37 -179.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.506 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.3 m-85 -87.69 177.17 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.25 -176.37 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 22' ' ' PRO . 8.1 mtmm -66.81 145.4 55.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.351 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 40.65 77.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.9 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' ' 50' ' ' LEU . 4.8 t -125.64 148.58 30.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -175.11 141.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.558 HG11 ' HG3' ' A' ' 34' ' ' LYS . 2.5 m -97.88 152.43 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -79.01 121.2 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -104.16 -6.53 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -20.25 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.03 -14.87 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.86 85.59 16.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 155.69 42.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -20.36 57.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.78 16.09 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -163.0 101.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.36 42.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 108.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 69.5 p -91.95 142.57 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.62 -50.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.74 101.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.91 119.61 39.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 107.27 4.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.08 147.29 33.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.783 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -146.48 172.58 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.49 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 t -123.61 144.65 49.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.62 174.56 25.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.1 OUTLIER -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -97.85 2.06 48.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.2 t30 81.39 27.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.86 131.81 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.392 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -100.19 106.98 18.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 1.181 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 59.8 m-85 -97.65 163.27 12.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.94 -28.03 11.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.5 168.57 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG3' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -67.94 -27.75 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.389 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.91 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.275 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.11 -37.02 84.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 23' ' ' LEU . 53.6 t80 -62.23 -52.73 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -27.99 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 t-20 -61.98 -44.97 95.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.19 -37.74 66.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.361 1.038 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 48' ' ' LEU . 12.4 t -55.69 -46.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -39.03 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -19.01 60.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -94.69 19.58 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.42 9.62 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 85.85 15.08 66.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.8 m -81.71 -55.48 4.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -40.4 138.83 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 5.7 p -125.09 176.92 6.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.783 HD13 HD12 ' A' ' 23' ' ' LEU . 5.4 tp -99.93 111.35 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -55.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.479 ' CD2' ' HB3' ' A' ' 24' ' ' CYS . 12.0 p80 -161.37 176.8 10.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -85.82 177.12 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 51.8 174.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 147.5 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.48 172.05 9.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.14 120.68 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 5' ' ' SER . 2.6 p -167.63 174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.544 ' H ' HG22 ' A' ' 4' ' ' VAL . 3.1 p 63.09 125.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.65 130.84 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.94 118.93 25.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 40.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -88.77 -30.64 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.89 59.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 4.5 m-85 -175.02 80.19 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.66 42.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -20.93 64.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 1.64 31.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 90.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -174.09 61.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 108.226 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 p -125.08 149.89 47.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 80.13 -54.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 2.6 mp0 -65.96 122.04 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.65 119.57 34.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 23' ' ' LEU . 16.0 mtm180 -138.98 107.95 7.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.07 144.34 29.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.82 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.789 HD21 ' CE ' ' A' ' 34' ' ' LYS . 2.7 mp -141.75 169.56 17.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.29 127.75 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.27 165.56 29.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -61.75 -26.47 68.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.79 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.889 ' OD1' HD11 ' A' ' 48' ' ' LEU . 11.8 p-10 -89.93 14.63 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 68.74 35.3 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 12.6 tttt -85.86 126.43 34.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.56 103.9 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.755 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 52.5 m-85 -93.68 161.13 14.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.18 -1.9 16.13 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 4.7 m-20 -164.38 165.42 21.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.789 ' CE ' HD21 ' A' ' 23' ' ' LEU . 11.6 mmtt -74.77 -39.99 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 3.3 p -61.31 -46.6 89.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.423 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -60.49 -43.17 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t80 -60.19 -49.42 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 t-20 -65.87 -45.1 83.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.78 -33.14 66.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.23 -44.62 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -60.39 -41.54 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.611 1.194 . . . . 0.0 109.245 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.43 -14.79 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.24 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -95.41 15.82 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.04 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 7.2 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.82 65.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -86.11 -48.52 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.889 HD11 ' OD1' ' A' ' 27' ' ' ASP . 8.6 tp -39.92 145.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 p -131.16 179.87 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 3.3 tp -106.89 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -37.63 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' HD11 ' A' ' 50' ' ' LEU . 20.8 p80 -175.71 -179.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.8 m-85 -86.88 177.12 7.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.84 172.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -53.14 166.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.93 -171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.22 63.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.726 HG23 HD23 ' A' ' 50' ' ' LEU . 18.0 m -62.41 163.02 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -172.4 131.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 37' ' ' PHE . 1.2 m -99.26 115.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.49 102.71 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -101.48 43.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.6 m -90.37 -29.65 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.61 52.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -154.11 76.72 5.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.674 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 151.82 40.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.71 -18.44 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.42 8.0 38.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -145.18 58.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -151.8 -105.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' GLU . 9.4 p 52.58 172.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp 69.99 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.6 pt-20 -65.95 135.54 54.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 118.9 29.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -137.92 108.31 8.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 146.97 33.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD12 HD13 ' A' ' 50' ' ' LEU . 2.1 pt? -166.0 164.63 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.457 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.6 t -127.0 144.72 50.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.54 165.94 16.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -27.01 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 43.1 p-10 -76.7 -6.65 53.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.9 t-20 79.03 24.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 19.4 tttt -85.78 140.71 30.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.19 121.72 38.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.9 m-85 -115.65 151.96 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.46 -1.61 43.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 23.0 m-20 -165.58 160.62 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.252 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.1 mmtt -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.84 -41.57 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 108.276 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.56 -37.09 76.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CB ' HD11 ' A' ' 23' ' ' LEU . 30.0 t80 -64.83 -51.74 60.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.991 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 t -62.97 -30.07 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -61.55 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.81 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.583 ' CG2' HD23 ' A' ' 48' ' ' LEU . 14.8 t -57.32 -44.6 84.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 38' ' ' CYS . 4.8 t -59.53 -32.67 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 -16.92 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' THR . 3.3 m -101.54 28.68 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.575 ' HB2' HG23 ' A' ' 47' ' ' THR . 65.5 m-80 61.89 13.99 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 76.83 14.59 82.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 45' ' ' ASN . 43.8 p -83.24 -50.09 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' CG2' ' A' ' 41' ' ' VAL . 1.4 tp -41.62 145.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 p -124.4 -168.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.782 HD13 HD12 ' A' ' 23' ' ' LEU . 6.0 tp -106.0 113.43 26.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -43.28 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -176.22 175.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.424 ' CZ ' ' NZ ' ' A' ' 34' ' ' LYS . 2.8 m-85 -87.61 176.22 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.74 -178.56 2.42 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 151.39 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.73 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.61 71.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.38 138.25 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.524 HG22 ' N ' ' A' ' 5' ' ' SER . 14.6 p -133.53 170.34 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.524 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.3 t 64.31 116.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 37' ' ' PHE . 1.4 m -103.2 133.49 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -80.83 132.09 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 13.95 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -20.35 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -104.01 -11.13 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.082 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -133.33 88.26 35.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.74 41.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -17.68 60.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.04 -62.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 63.79 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.05 85.83 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -64.29 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.83 55.2 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.618 1.198 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -87.33 102.3 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.351 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.14 118.39 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.3 mpt_? -147.52 108.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.04 135.75 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.815 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.5 mp -141.28 170.2 16.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 54.1 t -130.2 141.04 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 161.61 15.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -59.54 -29.6 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.07 -6.05 51.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.7 t-20 84.01 37.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.0 ttpt -92.02 153.18 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 55' ' ' LYS . 1.9 m -111.61 103.64 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 48.5 m-85 -90.4 155.91 18.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.98 -1.42 25.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 1.5 p-10 -174.56 159.35 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.815 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.72 -29.48 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.48 99.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 108.241 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -37.49 76.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 78.4 t80 -61.82 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.55 -27.78 67.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 108.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.2 t-20 -68.85 -46.25 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.48 -33.29 66.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.26 -42.92 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.85 -35.81 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.01 -18.45 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -93.24 13.12 22.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.45 7.17 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.74 14.89 58.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.7 m -81.15 -56.38 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 48' ' ' LEU . 6.8 tp -40.19 146.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -131.33 176.52 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 1.5 tp -101.9 106.74 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.61 99.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 24' ' ' CYS . 12.1 p80 -175.03 -177.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.4 m-85 -86.74 -175.07 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.89 -167.55 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD2' HG23 ' A' ' 30' ' ' THR . 0.7 OUTLIER -78.7 151.28 32.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 108.247 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.6 106.26 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.067 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.18 68.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 5' ' ' SER . 2.5 p -136.26 164.01 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.477 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.6 t -175.39 154.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.674 HG13 HD13 ' A' ' 50' ' ' LEU . 15.5 m -97.82 143.36 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.69 124.13 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 46.71 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -96.39 -28.64 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -129.87 67.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 1.9 m-85 179.82 88.83 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.93 143.13 28.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -16.9 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -45.02 23.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 17' ' ' THR . . . -88.73 -122.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 26.0 p 41.42 74.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 108.385 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 15' ' ' ALA . 41.7 p -134.1 172.62 12.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 110.392 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 77.36 -59.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.45 127.46 33.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -121.5 120.54 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -141.73 115.81 6.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.2 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.6 Cg_endo -75.02 141.72 26.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.037 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.835 HD21 ' HE3' ' A' ' 34' ' ' LYS . 1.2 mp -139.95 164.48 29.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 31.1 t -131.51 129.9 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.34 162.79 21.74 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -57.73 -24.68 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.963 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.752 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.6 p-10 -85.54 8.71 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.8 37.86 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.31 128.63 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -95.59 109.17 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.437 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 44.6 m-85 -99.43 173.34 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.77 -1.7 7.51 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -166.58 171.04 12.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HE3' HD21 ' A' ' 23' ' ' LEU . 37.7 mmtm -73.08 -26.65 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.7 m -69.17 -44.88 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -63.45 -42.81 98.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.052 ' CE2' HD12 ' A' ' 50' ' ' LEU . 13.5 t80 -65.16 -44.4 88.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.0 m -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.67 -45.95 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -73.07 -41.12 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 37' ' ' PHE . 8.4 t -55.74 -47.89 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -32.6 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.36 -18.51 61.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.7 m -96.06 6.34 49.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.8 t30 80.07 11.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.26 17.88 61.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.589 1.181 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 75.9 p -90.9 -45.31 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -39.05 154.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.13 -179.22 5.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.052 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.58 108.43 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -46.07 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 54.3 p-80 -176.21 176.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.672 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.23 176.49 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.91 -149.21 50.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 153.42 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 0.705 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.4 -179.71 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.76 116.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 5' ' ' SER . 11.2 p -164.41 171.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.528 ' H ' HG22 ' A' ' 4' ' ' VAL . 34.9 t 66.32 118.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 50' ' ' LEU . 4.2 m -100.06 127.31 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.21 129.91 36.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.9 44.74 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 108.243 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -93.51 -21.36 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.86 52.32 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.48 88.26 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.7 Cg_endo -74.9 153.51 42.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.5 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -34.7 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -108.65 -81.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' THR . 0.1 OUTLIER 45.75 26.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.489 HG22 ' H ' ' A' ' 18' ' ' LEU . 1.9 m 36.79 -151.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -107.72 19.59 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 134.45 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -123.69 119.88 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.88 108.1 6.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 147.06 33.29 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.415 1.745 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 50' ' ' LEU . 1.5 pt? -159.02 168.4 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.7 t -125.52 149.93 47.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.52 159.75 14.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -55.69 -28.32 54.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 48' ' ' LEU . 17.6 p-10 -77.7 -4.71 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.3 t-20 81.56 30.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.7 mttt -90.63 139.67 30.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 122.64 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.5 m-85 -117.15 156.5 27.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.14 -25.91 5.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.72 153.41 49.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -63.31 -31.28 72.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -44.13 90.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 108.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -36.38 83.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 77.6 t80 -67.58 -50.45 58.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 42' ' ' VAL . 94.6 m -62.95 -29.73 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -62.12 -44.68 96.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -36.65 66.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 46' ' ' GLY . 19.2 t -55.57 -46.84 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' CYS . 17.4 t -59.83 -31.88 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.21 -27.51 64.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.59 8.01 6.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 87.68 17.41 58.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.0 m -87.56 -45.87 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.68 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.3 tp -37.56 145.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.99 177.47 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 23' ' ' LEU . 9.5 tt -104.38 105.93 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -50.23 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -168.58 176.59 5.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.22 175.75 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 54.79 177.57 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 151.88 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.227 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 76.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.14 128.61 38.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.54 HG22 ' N ' ' A' ' 5' ' ' SER . 7.4 p -137.15 168.45 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.54 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.9 m -154.97 168.32 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.66 133.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.9 137.12 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.68 42.23 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -87.63 -25.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.17 62.03 1.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -165.19 91.38 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 135.89 19.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -17.61 23.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.84 -32.83 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 12' ' ' PRO . . . -79.49 -101.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m 42.14 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -66.88 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.93 23.16 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 101.75 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -94.23 120.09 33.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 23' ' ' LEU . 7.2 mmm180 -143.47 108.2 5.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.98 134.66 18.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.771 HD21 ' HE2' ' A' ' 34' ' ' LYS . 1.3 mp -142.27 166.08 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . 11.8 t -126.0 141.17 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.309 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.92 169.37 17.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.456 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -67.83 -17.06 64.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' OD2' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -98.34 12.25 35.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 72.11 30.6 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -85.6 126.05 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -96.05 103.39 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 48' ' ' LEU . 48.5 m-85 -86.78 160.64 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 33' ' ' ASN . . . -122.49 -2.32 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' CG ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -162.68 159.14 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 0.719 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.771 ' HE2' HD21 ' A' ' 23' ' ' LEU . 25.7 mmtt -69.28 -43.79 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -37.57 83.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 10.7 t80 -67.65 -49.21 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.12 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.6 -44.41 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.63 -36.18 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 37' ' ' PHE . 32.2 t -61.15 -48.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -32.57 53.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -75.43 -17.02 60.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -102.22 21.5 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.596 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 68.05 10.22 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 83.03 18.54 64.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 45' ' ' ASN . 72.7 p -85.92 -47.05 10.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 31' ' ' TYR . 6.4 tp -38.89 147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.533 ' H ' HD12 ' A' ' 48' ' ' LEU . 27.7 p -130.52 175.03 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 2.1 tp -103.64 105.73 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -41.98 90.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 47.3 p-80 -174.11 179.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.5 m-85 -84.98 -179.52 7.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.97 -162.85 5.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -72.45 165.23 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.748 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 45.88 -162.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.634 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 67.88 82.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.634 HG13 ' C ' ' A' ' 3' ' ' ALA . 1.9 m 55.99 163.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 4' ' ' VAL . 7.9 p -179.68 123.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.606 ' CG2' HD22 ' A' ' 50' ' ' LEU . 94.2 t -125.88 128.23 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -98.64 126.47 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.7 t -132.62 10.79 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -87.51 -28.94 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 6.6 mm-40 -124.03 54.93 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 4.7 m-85 -175.93 73.69 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.52 41.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -17.87 26.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.71 18.39 13.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.8 74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -179.15 59.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 77.4 p -117.96 158.38 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.81 -55.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -66.35 99.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -95.29 120.0 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CB ' ' HE2' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -134.84 107.43 10.64 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.98 147.32 33.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.915 HD12 HD13 ' A' ' 50' ' ' LEU . 1.5 pt? -164.25 150.89 11.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' ' 50' ' ' LEU . 3.8 t -109.5 149.22 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.84 165.07 16.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -15.84 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.922 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.5 p-10 -92.23 -4.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 t30 81.92 26.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.9 mttm -85.77 137.6 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -96.69 116.91 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 70.2 m-85 -113.57 151.15 32.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -105.89 -11.88 27.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 70.8 m-20 -148.49 157.85 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.42 -27.26 58.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.41 -39.01 85.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -39.19 66.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.9 t80 -62.6 -55.6 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.81 -31.65 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.43 -44.21 97.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.32 -31.89 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' PHE . 24.9 t -57.67 -48.05 84.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 38' ' ' CYS . 23.9 t -59.61 -31.92 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.54 -19.94 60.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -97.69 28.42 3.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.19 10.06 7.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.18 80.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -45.64 15.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 27' ' ' ASP . 10.9 tp -45.72 130.7 9.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.364 1.04 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.58 -167.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 tp -109.27 117.26 33.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -40.0 60.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -177.06 171.34 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.52 173.82 12.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.91 179.97 2.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.427 1.08 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 0.795 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.23 178.46 1.7 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.72 157.62 4.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.381 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 5' ' ' SER . 7.6 p -84.58 167.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 4' ' ' VAL . 52.5 p -158.75 151.07 21.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' VAL . 19.3 m -97.87 117.08 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.02 123.62 26.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 21.66 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 p -82.57 -21.11 35.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -132.45 46.83 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -160.43 91.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.12 35.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -71.72 -18.05 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.15 9.24 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.56 78.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.63 99.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 19' ' ' GLU . 4.8 m -131.51 -131.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 1.3 mt -39.85 -29.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 17' ' ' THR . 2.2 mp0 -65.22 97.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -109.73 130.12 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 108.23 4.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -137.71 159.36 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.545 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 1.9 t -124.62 121.91 36.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 160.28 31.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -58.23 -24.33 58.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.771 . . . . 0.0 109.901 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.788 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.7 p-10 -82.45 -3.96 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 t-20 81.73 30.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -89.77 151.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -112.42 115.27 28.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 18.4 m-85 -111.28 123.21 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -1.32 86.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 19' ' ' GLU . 78.4 m-20 -163.8 156.92 18.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HE2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.06 -35.86 82.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 m -60.45 -44.33 95.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -35.53 80.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.9 t80 -66.5 -48.07 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' LYS . 5.1 m -63.91 -30.63 71.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -61.79 -43.79 98.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.61 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 48' ' ' LEU . 3.7 t -57.79 -48.84 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -41.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.205 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.13 -12.24 61.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.89 18.3 20.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.86 3.84 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 87.11 8.72 74.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 m -79.28 -45.08 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.447 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.788 HD11 ' CG ' ' A' ' 27' ' ' ASP . 1.7 tt -39.09 141.02 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 3.3 p -121.34 -170.34 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 24' ' ' CYS . 11.3 tp -115.56 114.54 25.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.545 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 11.3 p80 -156.92 170.5 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.663 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.06 176.87 9.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.3 -161.58 53.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 166.58 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 0.818 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . -44.27 163.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 67.47 160.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.543 ' HB ' HD23 ' A' ' 50' ' ' LEU . 13.7 m -55.45 162.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -169.78 110.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.741 HG21 HD13 ' A' ' 50' ' ' LEU . 76.8 t -98.09 131.42 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.64 136.09 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -130.01 32.55 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -87.72 -26.49 22.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -135.1 55.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -159.02 79.21 2.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.76 41.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.57 -4.45 54.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.34 -125.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 57.29 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -67.69 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.12 19.23 8.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 21' ' ' ARG . 1.9 mp0 -69.07 96.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -93.05 119.77 32.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.578 1.174 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.8 mpp_? -141.89 107.29 5.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.99 147.33 33.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -159.05 167.07 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' CYS . 8.2 t -118.89 149.33 41.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.79 166.36 13.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -29.68 59.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.759 ' OD1' HD12 ' A' ' 48' ' ' LEU . 1.2 m-20 -82.82 -0.09 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t30 79.03 26.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.62 127.17 34.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.21 107.21 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.345 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.811 ' OH ' HD21 ' A' ' 48' ' ' LEU . 6.8 m-85 -96.14 160.82 14.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.39 -28.24 6.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -141.54 166.95 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -27.42 58.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -46.7 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -40.46 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' A' ' 31' ' ' TYR . 9.8 t80 -59.16 -52.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.1 t -63.7 -28.55 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -61.48 -44.57 96.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -34.46 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 48' ' ' LEU . 16.0 t -56.65 -47.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 38' ' ' CYS . 6.4 t -59.85 -31.94 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.95 -15.85 60.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 p -100.89 16.95 23.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.98 6.28 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.25 16.51 53.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 49' ' ' THR . 78.7 m -86.16 -48.5 8.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.811 HD21 ' OH ' ' A' ' 31' ' ' TYR . 3.0 tp -44.45 129.77 6.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 47' ' ' THR . 72.5 p -114.93 -174.1 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.741 HD13 HG21 ' A' ' 6' ' ' VAL . 1.7 tp -104.9 106.13 16.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -45.24 85.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -178.61 172.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 54' ' ' GLY . 11.6 m-85 -76.55 171.23 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 54.3 166.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 160.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.36 55.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.87 68.49 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' N ' ' A' ' 5' ' ' SER . 9.0 p -137.34 167.8 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 4' ' ' VAL . 1.2 t 179.4 165.22 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.638 HG23 HD22 ' A' ' 50' ' ' LEU . 64.9 t -111.09 129.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.89 25.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.57 35.37 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 108.332 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -83.62 -31.16 26.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.43 56.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -171.72 87.65 0.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.1 Cg_endo -74.9 137.02 21.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -17.62 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.14 -17.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 -123.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.398 1.061 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 55.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.266 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.434 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 2.0 m -61.26 -139.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.87 17.86 12.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -65.89 135.7 55.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.627 1.204 . . . . 0.0 110.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.0 119.62 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -138.0 107.04 8.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 147.14 33.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 37' ' ' PHE . 1.4 pt? -159.99 170.32 21.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.5 t -125.52 150.53 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.41 163.99 13.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -21.71 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.707 ' OD1' HD11 ' A' ' 48' ' ' LEU . 20.8 p-10 -84.15 -7.27 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.7 t-20 83.18 36.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.244 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 6.1 tttt -99.95 134.61 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -95.5 117.25 30.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 46.8 m-85 -108.72 156.07 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.01 -28.02 10.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 10.7 m-20 -144.48 160.64 40.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -27.34 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -46.28 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.92 -35.65 80.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.653 ' CG ' HD11 ' A' ' 23' ' ' LEU . 27.2 t80 -63.34 -51.87 64.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.9 t -62.5 -30.22 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.63 -42.58 99.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.75 65.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.972 HG22 HD23 ' A' ' 48' ' ' LEU . 24.7 t -56.0 -46.05 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' CYS . 20.9 t -59.49 -35.67 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.54 -19.33 58.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -93.54 25.41 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 69.39 8.41 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.383 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.94 16.15 81.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 45' ' ' ASN . 67.4 p -93.34 -46.08 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.31 144.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -125.19 -173.69 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -104.16 114.18 28.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -47.64 78.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -171.68 174.14 4.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' GLY . 2.3 m-85 -80.88 174.41 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 52.82 171.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -43.17 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.32 80.5 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.47 152.34 28.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.76 ' CG1' HD23 ' A' ' 50' ' ' LEU . 47.3 t 57.78 163.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 4' ' ' VAL . 0.3 OUTLIER 178.21 131.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.753 ' CG1' HD22 ' A' ' 50' ' ' LEU . 4.1 m -98.06 111.06 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.35 131.47 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.66 36.17 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 108.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 -16.63 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.49 22.31 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -150.75 89.13 4.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.7 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.08 160.89 39.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -17.22 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.23 -55.04 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -72.19 60.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.28 78.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 18' ' ' LEU . 3.5 t -117.82 -126.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' N ' HG23 ' A' ' 17' ' ' THR . 0.4 OUTLIER -39.8 -29.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.7 mp0 -64.82 96.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.53 120.48 39.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.92 108.21 9.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.421 1.748 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD13 ' A' ' 50' ' ' LEU . 1.8 pt? -158.68 165.01 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 t -122.0 147.78 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 108.256 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.48 163.77 14.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -62.35 -18.11 60.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.3 p-10 -88.78 -5.67 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER 82.89 37.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 43.7 mttt -97.89 132.27 43.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -96.17 108.18 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.2 m-85 -102.32 156.36 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -100.08 -28.75 7.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 17.4 m-20 -141.78 157.68 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.0 mmtt -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.51 -46.34 80.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.295 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.35 -36.79 84.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 21.0 t80 -65.82 -50.4 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.72 -28.87 70.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.96 -44.69 95.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.208 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.91 -41.2 64.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 37' ' ' PHE . 4.1 t -55.75 -44.61 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -76.18 -20.31 57.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 13.8 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.62 6.14 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.64 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.7 m -84.86 -56.16 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.67 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -39.9 136.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -120.21 179.39 4.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD13 HD12 ' A' ' 23' ' ' LEU . 11.1 tp -99.58 115.37 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -47.36 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 25.1 p80 -171.7 174.72 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.99 174.59 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.5 169.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.54 131.89 7.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.65 69.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 5' ' ' SER . 7.2 p -108.1 165.43 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.494 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.0 t -179.64 135.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.467 HG13 HD22 ' A' ' 50' ' ' LEU . 27.0 m -101.35 122.94 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.23 115.59 22.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.02 28.75 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -94.65 -24.59 17.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 mm-40 -131.08 60.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -167.16 86.02 0.81 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 158.65 41.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -18.48 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.86 13.86 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -125.16 70.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER 174.65 109.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 108.348 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.8 m -133.23 -126.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -39.44 -34.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -65.71 111.69 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.52 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -125.88 110.65 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.08 147.16 33.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' CD ' ' A' ' 34' ' ' LYS . 1.4 mp -140.28 167.17 22.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 41.8 t -122.69 142.38 50.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -107.51 157.67 15.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.455 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 2.0 t -58.46 -29.62 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -86.75 12.42 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 72.85 35.5 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -85.8 149.69 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -118.51 103.98 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 31.3 m-85 -91.52 162.23 14.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 1.058 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.95 -23.3 6.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.28 170.77 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.82 ' CD ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.45 -34.46 58.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 108.342 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -35.85 81.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -64.43 -52.67 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.2 -31.36 72.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.71 64.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.799 HG21 ' CE1' ' A' ' 37' ' ' PHE . 39.8 t -63.96 -43.78 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -38.68 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.44 -11.99 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -94.27 7.72 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.5 6.05 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.72 15.63 56.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m -81.32 -52.12 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 10.0 tp -49.26 146.32 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 17.1 p -132.57 177.7 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.33 107.48 18.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -41.52 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 24' ' ' CYS . 12.5 p80 -173.67 -175.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.6 m-85 -86.97 -174.3 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CA ' ' A' ' 23' ' ' LEU . . . 59.01 -150.03 37.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.296 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.6 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 1' ' ' LEU . . . 173.24 50.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' ALA . . . 175.07 178.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.549 HG22 ' H ' ' A' ' 5' ' ' SER . 6.9 p -154.39 172.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.549 ' H ' HG22 ' A' ' 4' ' ' VAL . 17.0 m -159.37 167.89 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.693 ' CG2' HD22 ' A' ' 50' ' ' LEU . 53.8 t -130.25 133.98 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.63 129.05 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.45 -3.42 57.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -30.28 57.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.54 -34.69 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.01 92.17 25.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 152.48 40.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -17.76 19.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.77 13.17 16.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -128.43 84.73 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.17 113.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 108.246 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -138.08 -139.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -31.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.96 103.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.83 133.03 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -143.46 115.65 5.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 146.58 32.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.902 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.74 166.45 24.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.6 t -120.88 147.65 45.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 108.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.58 163.21 12.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -63.88 -23.27 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' HD21 ' A' ' 48' ' ' LEU . 19.9 p-10 -86.29 4.09 40.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.79 40.74 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -101.76 152.64 20.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -112.82 103.85 11.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 64.6 m-85 -85.32 166.76 16.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.54 -19.08 6.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.579 1.174 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -159.57 173.06 16.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -34.46 71.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.6 m -63.24 -46.03 88.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -63.02 -37.67 88.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 41' ' ' VAL . 64.8 t80 -63.77 -54.42 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.657 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.7 t -63.22 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -61.76 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.77 -33.51 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 37' ' ' PHE . 44.6 t -58.81 -48.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 38' ' ' CYS . 86.5 t -59.04 -41.96 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.54 -18.47 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.24 21.83 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 110.043 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 72.07 5.47 5.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 80.22 18.47 71.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 45' ' ' ASN . 74.5 p -93.09 -45.62 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 0.809 . . . . 0.0 110.378 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 44' ' ' SER . 5.7 tp -40.17 147.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -130.69 -179.86 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' HB3' ' A' ' 23' ' ' LEU . 5.3 tp -100.08 107.59 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -44.07 85.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 26.7 p80 -176.01 -176.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.7 m-85 -89.06 176.21 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' PRO . . . 65.74 -147.78 50.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.6 OUTLIER -101.39 144.86 29.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.484 HD13 ' HB ' ' A' ' 49' ' ' THR . 5.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.31 63.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 109.378 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.08 39.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 49' ' ' THR . 36.2 t 58.15 164.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.524 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -130.21 58.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG21 ' CE1' ' A' ' 37' ' ' PHE . 84.4 t -132.02 135.04 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -105.13 102.5 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.7 t -112.6 19.51 17.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.67 -18.88 20.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -116.58 -6.84 11.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.9 87.79 43.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.97 159.37 41.53 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -18.16 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.94 16.71 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -147.01 94.36 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.26 105.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 108.224 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' GLU . 2.9 m -131.09 -133.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.1 mp0 -65.68 97.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 2.3 t80 -112.05 126.69 55.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 20' ' ' TYR . 2.7 mmm180 -143.37 107.99 5.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.941 ' O ' HD13 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -74.95 139.52 24.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -127.82 157.43 40.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 50' ' ' LEU . 37.9 t -126.26 110.08 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -77.0 146.97 32.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.2 OUTLIER -71.17 -12.77 61.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 48' ' ' LEU . 18.2 p-10 -84.24 0.82 47.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.9 t-20 83.94 43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -119.31 149.51 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -116.27 134.69 54.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 42.6 m-85 -124.91 160.73 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -112.18 -25.68 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.48 167.3 22.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.73 -27.69 66.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.43 -36.23 73.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -67.38 -44.55 78.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.779 ' CE2' HD13 ' A' ' 50' ' ' LEU . 6.9 t80 -67.72 -42.98 81.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.896 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 t -68.18 -28.21 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 108.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.91 -45.4 92.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -73.21 -36.87 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 48' ' ' LEU . 30.5 t -55.83 -48.29 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 38' ' ' CYS . 25.8 t -63.33 -37.79 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.26 -17.04 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ALA . 2.0 m -97.98 12.82 32.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.68 10.29 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 41' ' ' VAL . . . 89.57 16.83 56.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 57.3 m -87.61 -29.89 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 0.797 . . . . 0.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.8 tm? -38.86 136.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.67 ' HA ' HG22 ' A' ' 4' ' ' VAL . 27.7 p -110.51 168.48 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' CE2' ' A' ' 37' ' ' PHE . 48.5 tp -123.49 101.11 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -37.46 87.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 17.6 p80 -175.6 179.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 5.0 m-85 -90.42 175.3 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 69.11 -158.71 53.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -87.68 154.09 20.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 108.379 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.26 120.28 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.33 67.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.492 HG22 HD23 ' A' ' 50' ' ' LEU . 1.9 p -61.2 149.84 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p -147.68 153.83 39.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.932 HG23 HD22 ' A' ' 50' ' ' LEU . 5.4 t -98.21 139.58 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.85 128.63 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.23 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.2 t -94.1 -23.62 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.04 45.88 2.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 110.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -170.52 88.1 0.51 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 153.62 41.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.552 1.817 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -59.41 -19.14 44.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.33 10.21 17.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -135.72 85.85 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.01 105.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' LEU . 24.7 m -138.82 -119.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -39.21 -36.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.8 pm0 -65.57 104.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.41 125.24 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -139.75 112.29 7.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 147.5 33.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 50' ' ' LEU . 2.0 pt? -159.87 145.95 15.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 50' ' ' LEU . 45.6 t -102.18 141.09 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.35 169.5 26.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 13.1 t -62.88 -24.65 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.673 ' CG ' HD11 ' A' ' 48' ' ' LEU . 18.7 p-10 -85.49 -0.79 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 8.2 t30 78.72 33.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.381 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.2 tttp -91.03 134.73 34.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.49 104.0 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 62.4 m-85 -97.8 154.6 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.04 -28.12 8.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 13.1 t-20 -146.3 167.51 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -26.75 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.3 -45.53 84.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.246 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ASN . 2.1 t-20 -69.01 -34.68 75.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.604 ' CE1' HG21 ' A' ' 41' ' ' VAL . 3.9 t80 -64.41 -50.72 66.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 t -63.59 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.2 t30 -61.73 -43.72 98.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.02 -39.29 66.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.66 -42.59 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -36.52 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -19.68 62.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 1.6 m -95.43 24.87 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.483 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 67.75 10.85 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.32 17.95 78.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.483 HG23 ' HB3' ' A' ' 45' ' ' ASN . 70.3 p -90.47 -47.47 7.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD11 ' CG ' ' A' ' 27' ' ' ASP . 3.4 tp -39.87 150.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 26' ' ' SER . 1.0 OUTLIER -126.49 -169.0 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.932 HD22 HG23 ' A' ' 6' ' ' VAL . 3.7 tp -110.54 111.84 23.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 24' ' ' CYS . 77.6 p -61.25 -67.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.31 168.76 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.512 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.01 172.03 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.37 -177.62 3.38 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -68.1 145.87 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -84.99 136.08 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 24.22 5.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -94.01 -30.05 14.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.06 -29.99 13.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.07 88.82 45.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 157.74 42.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -17.99 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.06 12.7 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -133.63 75.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 100.22 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 19' ' ' GLU . 66.3 p -133.44 -137.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.35 -31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 17' ' ' THR . 5.7 mp0 -66.91 99.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -117.65 129.67 55.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -144.75 113.57 5.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 143.3 28.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.5 mp -140.35 169.44 17.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -131.26 131.42 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 160.47 23.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.2 t -59.57 -21.86 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -86.47 -3.56 59.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.2 t-20 82.74 35.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -92.42 134.13 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.88 104.75 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.791 ' OH ' HD21 ' A' ' 48' ' ' LEU . 49.4 m-85 -92.73 161.92 14.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.86 -13.31 14.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -168.85 -177.15 2.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -73.62 -28.85 62.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.7 m -70.38 -42.63 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -38.35 89.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.733 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.8 t80 -70.18 -43.04 71.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 42' ' ' VAL . 14.6 t30 -65.55 -46.16 80.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.04 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.62 HG23 HD22 ' A' ' 48' ' ' LEU . 2.6 t -56.04 -43.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.68 -38.37 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.08 -17.84 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -91.95 -15.14 28.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.4 t-20 89.04 3.93 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 18.45 19.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -93.91 -32.07 14.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.791 HD21 ' OH ' ' A' ' 31' ' ' TYR . 10.4 tt -60.55 139.22 57.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 2.8 p -122.26 173.84 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 37' ' ' PHE . 8.6 tt -101.8 110.49 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -40.21 78.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -175.88 177.86 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.656 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -91.59 175.29 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . 73.73 -149.66 41.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 148.13 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.68 136.0 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -128.48 15.17 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.5 -29.09 14.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -98.07 -29.67 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -122.63 85.97 49.13 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.94 162.35 37.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -17.73 63.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.36 16.2 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -164.03 103.4 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.58 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 76.8 p -116.36 155.78 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 82.04 -55.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -65.85 130.77 44.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -124.06 119.69 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 109.34 6.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.01 136.96 21.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.888 HD21 ' HD2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -135.7 165.06 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -130.78 130.76 44.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 164.22 24.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.65 -28.94 68.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 0.735 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 18.2 p-10 -79.34 -3.62 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.4 t30 82.54 31.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 2.1 tttm -87.43 143.06 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 112.24 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.727 ' OH ' HD21 ' A' ' 48' ' ' LEU . 45.7 m-85 -103.97 165.65 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.21 -1.41 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -165.54 158.35 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.888 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -67.76 -34.05 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -63.45 -46.72 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.434 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 2.0 t30 -61.52 -36.2 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.894 ' CE2' HD12 ' A' ' 50' ' ' LEU . 39.0 t80 -66.76 -49.39 66.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.925 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -63.5 -29.19 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.31 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -62.13 -44.99 95.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.16 67.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.609 ' CG2' HD23 ' A' ' 48' ' ' LEU . 20.2 t -56.02 -47.59 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 38' ' ' CYS . 22.4 t -62.53 -31.85 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -74.93 -26.25 59.48 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.105 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.03 21.08 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.063 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.89 9.03 7.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.03 18.0 60.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.2 m -88.31 -46.34 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.727 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -40.55 139.93 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -125.74 171.17 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.894 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.0 tp -97.62 106.54 18.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.72 96.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 22.0 p80 -175.95 -177.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.57 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.4 m-85 -95.94 176.78 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.27 166.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.24 142.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.852 HG23 HD22 ' A' ' 50' ' ' LEU . 14.7 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -115.67 136.32 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.29 28.3 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.33 -28.31 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 41.67 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -157.24 67.24 4.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 157.65 42.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -17.91 16.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -86.14 2.98 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -127.02 79.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -174.76 87.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 HD13 ' A' ' 18' ' ' LEU . 6.6 m -62.05 -129.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -91.86 27.19 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.383 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -82.9 129.94 35.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -122.46 120.09 32.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -139.35 108.31 7.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 146.68 33.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -154.92 171.38 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.1 t -127.65 144.77 51.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.58 162.71 14.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -17.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -85.19 -9.5 57.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 t-20 83.71 27.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -93.27 132.78 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.55 109.84 22.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 39.3 m-85 -98.32 160.71 14.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.34 8.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -145.55 166.64 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.6 -27.82 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.88 -45.32 86.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.309 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.83 -43.51 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 7.3 t80 -58.03 -52.97 63.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.67 69.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 42' ' ' VAL . 37.2 t30 -65.01 -45.82 83.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.49 65.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 48' ' ' LEU . 2.7 t -55.3 -44.86 77.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -59.81 -40.22 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.93 -22.56 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -92.46 18.07 9.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 71.43 6.6 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.73 14.75 62.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -84.82 -51.62 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD21 ' OH ' ' A' ' 31' ' ' TYR . 2.0 tp -41.22 142.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.5 p -129.08 -173.1 2.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 HG23 ' A' ' 6' ' ' VAL . 2.7 tp -105.24 111.6 24.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -67.4 -50.26 60.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 56.5 p-80 -166.22 176.72 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.635 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -87.35 173.3 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.85 -161.3 13.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.66 151.29 47.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.6 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -108.19 38.71 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -30.28 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.99 46.38 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -142.23 91.42 7.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.94 39.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.86 -17.91 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.04 2.57 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.93 63.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.65 105.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 18' ' ' LEU . 17.5 m -133.42 -130.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -39.43 -36.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -65.92 95.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.85 127.14 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 110.79 8.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.96 146.95 33.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.2 mp -139.18 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 49.3 t -131.66 128.87 39.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 108.23 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 164.15 24.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -59.96 -26.64 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.052 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -86.29 10.73 13.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.81 37.77 2.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -94.09 129.24 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -96.05 104.39 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.442 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 63.5 m-85 -90.18 165.82 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.05 -21.98 6.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.0 170.05 22.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -71.8 -27.83 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.02 -46.33 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -38.6 91.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 1.9 t80 -63.88 -52.76 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -28.06 69.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.468 ' O ' HG12 ' A' ' 42' ' ' VAL . 16.9 t-20 -64.05 -45.33 89.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.09 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.91 -42.29 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.67 -36.71 67.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.33 -20.18 62.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' THR . 20.8 p -91.55 -1.65 57.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.1 t-20 77.94 15.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.31 17.18 63.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 44' ' ' SER . 76.5 p -85.27 -45.81 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 48' ' ' LEU . 13.9 tp -55.29 145.36 22.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -124.36 -177.12 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 12.6 tp -107.22 107.79 18.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -41.49 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 22.9 p80 -176.37 -179.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.506 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.3 m-85 -87.69 177.17 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.25 -176.37 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 22' ' ' PRO . 8.1 mtmm -66.81 145.4 55.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.351 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.558 HG11 ' HG3' ' A' ' 34' ' ' LYS . 2.5 m . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -79.01 121.2 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -104.16 -6.53 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -20.25 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.03 -14.87 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.86 85.59 16.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 155.69 42.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -20.36 57.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.78 16.09 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -163.0 101.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.36 42.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 108.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 69.5 p -91.95 142.57 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.62 -50.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.74 101.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -110.91 119.61 39.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 107.27 4.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.08 147.29 33.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.783 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -146.48 172.58 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.49 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 t -123.61 144.65 49.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.62 174.56 25.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.1 OUTLIER -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -97.85 2.06 48.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.2 t30 81.39 27.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.86 131.81 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.392 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -100.19 106.98 18.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 1.181 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 59.8 m-85 -97.65 163.27 12.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.94 -28.03 11.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -152.5 168.57 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.346 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG3' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -67.94 -27.75 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.389 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.91 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.275 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.11 -37.02 84.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 23' ' ' LEU . 53.6 t80 -62.23 -52.73 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -27.99 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.2 t30 -61.98 -44.97 95.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.19 -37.74 66.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.361 1.038 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 48' ' ' LEU . 12.4 t -55.69 -46.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -39.03 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -19.01 60.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -94.69 19.58 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.42 9.62 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 85.85 15.08 66.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.8 m -81.71 -55.48 4.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -40.4 138.83 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 5.7 p -125.09 176.92 6.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.783 HD13 HD12 ' A' ' 23' ' ' LEU . 5.4 tp -99.93 111.35 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -55.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 50.4 p-80 -161.37 176.8 10.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.7 m-85 -85.82 177.12 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 51.8 174.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 147.5 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.94 118.93 25.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 40.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -88.77 -30.64 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.89 59.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 4.5 m-85 -175.02 80.19 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.66 42.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -20.93 64.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 1.64 31.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 90.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -174.09 61.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 108.226 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 p -125.08 149.89 47.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 80.13 -54.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 2.6 mp0 -65.96 122.04 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.65 119.57 34.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 23' ' ' LEU . 16.0 mtm180 -138.98 107.95 7.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.07 144.34 29.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.82 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.789 HD21 ' CE ' ' A' ' 34' ' ' LYS . 2.7 mp -141.75 169.56 17.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.29 127.75 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.27 165.56 29.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -61.75 -26.47 68.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.79 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.889 ' OD1' HD11 ' A' ' 48' ' ' LEU . 11.8 p-10 -89.93 14.63 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 68.74 35.3 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 12.6 tttt -85.86 126.43 34.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.56 103.9 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.755 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 52.5 m-85 -93.68 161.13 14.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.18 -1.9 16.13 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 4.7 m-20 -164.38 165.42 21.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.789 ' CE ' HD21 ' A' ' 23' ' ' LEU . 11.6 mmtt -74.77 -39.99 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 3.3 p -61.31 -46.6 89.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.423 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -60.49 -43.17 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t80 -60.19 -49.42 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 t-20 -65.87 -45.1 83.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.78 -33.14 66.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.23 -44.62 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -60.39 -41.54 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.611 1.194 . . . . 0.0 109.245 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.43 -14.79 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.24 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -95.41 15.82 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.04 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 7.2 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.82 65.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -86.11 -48.52 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.889 HD11 ' OD1' ' A' ' 27' ' ' ASP . 8.6 tp -39.92 145.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 p -131.16 179.87 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 3.3 tp -106.89 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -37.63 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' HD11 ' A' ' 50' ' ' LEU . 20.8 p80 -175.71 -179.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.8 m-85 -86.88 177.12 7.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.84 172.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -53.14 166.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 37' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.49 102.71 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -101.48 43.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.6 m -90.37 -29.65 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.61 52.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -154.11 76.72 5.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.674 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 151.82 40.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.71 -18.44 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.42 8.0 38.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -145.18 58.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -151.8 -105.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' GLU . 9.4 p 52.58 172.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp 69.99 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.6 pt-20 -65.95 135.54 54.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 118.9 29.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -137.92 108.31 8.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 146.97 33.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD12 HD13 ' A' ' 50' ' ' LEU . 2.1 pt? -166.0 164.63 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.457 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.6 t -127.0 144.72 50.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.54 165.94 16.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -27.01 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 43.1 p-10 -76.7 -6.65 53.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.9 t-20 79.03 24.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 19.4 tttt -85.78 140.71 30.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.19 121.72 38.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.9 m-85 -115.65 151.96 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.46 -1.61 43.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 23.0 m-20 -165.58 160.62 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.252 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.1 mmtt -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.84 -41.57 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 108.276 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.56 -37.09 76.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CB ' HD11 ' A' ' 23' ' ' LEU . 30.0 t80 -64.83 -51.74 60.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.991 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 t -62.97 -30.07 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -61.55 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.81 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.583 ' CG2' HD23 ' A' ' 48' ' ' LEU . 14.8 t -57.32 -44.6 84.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 38' ' ' CYS . 4.8 t -59.53 -32.67 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 -16.92 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' THR . 3.3 m -101.54 28.68 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.575 ' HB2' HG23 ' A' ' 47' ' ' THR . 65.5 m-80 61.89 13.99 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 76.83 14.59 82.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 45' ' ' ASN . 43.8 p -83.24 -50.09 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' CG2' ' A' ' 41' ' ' VAL . 1.4 tp -41.62 145.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 p -124.4 -168.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.782 HD13 HD12 ' A' ' 23' ' ' LEU . 6.0 tp -106.0 113.43 26.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -43.28 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -176.22 175.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.424 ' CZ ' ' NZ ' ' A' ' 34' ' ' LYS . 2.8 m-85 -87.61 176.22 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.74 -178.56 2.42 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 151.39 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.73 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 37' ' ' PHE . 1.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -80.83 132.09 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 13.95 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -20.35 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -104.01 -11.13 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.082 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -133.33 88.26 35.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.74 41.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -17.68 60.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.04 -62.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 63.79 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.05 85.83 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -64.29 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.83 55.2 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.618 1.198 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -87.33 102.3 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.351 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.14 118.39 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.3 mpt_? -147.52 108.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.04 135.75 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.815 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.5 mp -141.28 170.2 16.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 54.1 t -130.2 141.04 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 161.61 15.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -59.54 -29.6 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.07 -6.05 51.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.7 t-20 84.01 37.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.0 ttpt -92.02 153.18 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 55' ' ' LYS . 1.9 m -111.61 103.64 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 48.5 m-85 -90.4 155.91 18.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.98 -1.42 25.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 1.5 p-10 -174.56 159.35 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.815 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.72 -29.48 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.48 99.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 108.241 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -37.49 76.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 78.4 t80 -61.82 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.55 -27.78 67.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 108.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.4 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.2 t-20 -68.85 -46.25 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.48 -33.29 66.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.26 -42.92 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.85 -35.81 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.01 -18.45 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -93.24 13.12 22.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.45 7.17 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.74 14.89 58.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.7 m -81.15 -56.38 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 48' ' ' LEU . 6.8 tp -40.19 146.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -131.33 176.52 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 1.5 tp -101.9 106.74 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.61 99.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 42.2 p-80 -175.03 -177.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.4 m-85 -86.74 -175.07 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.89 -167.55 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD2' HG23 ' A' ' 30' ' ' THR . 0.7 OUTLIER -78.7 151.28 32.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 108.247 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.674 HG13 HD13 ' A' ' 50' ' ' LEU . 15.5 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.69 124.13 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 46.71 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -96.39 -28.64 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -129.87 67.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 1.9 m-85 179.82 88.83 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.93 143.13 28.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -16.9 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -45.02 23.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 17' ' ' THR . . . -88.73 -122.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 26.0 p 41.42 74.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 108.385 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 15' ' ' ALA . 41.7 p -134.1 172.62 12.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 110.392 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 77.36 -59.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.45 127.46 33.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -121.5 120.54 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -141.73 115.81 6.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.2 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.6 Cg_endo -75.02 141.72 26.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.037 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.835 HD21 ' HE3' ' A' ' 34' ' ' LYS . 1.2 mp -139.95 164.48 29.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 31.1 t -131.51 129.9 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.34 162.79 21.74 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -57.73 -24.68 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.963 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.752 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.6 p-10 -85.54 8.71 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.8 37.86 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.31 128.63 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -95.59 109.17 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.437 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 44.6 m-85 -99.43 173.34 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.77 -1.7 7.51 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -166.58 171.04 12.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HE3' HD21 ' A' ' 23' ' ' LEU . 37.7 mmtm -73.08 -26.65 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.7 m -69.17 -44.88 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -63.45 -42.81 98.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.052 ' CE2' HD12 ' A' ' 50' ' ' LEU . 13.5 t80 -65.16 -44.4 88.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.0 m -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.67 -45.95 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -73.07 -41.12 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 37' ' ' PHE . 8.4 t -55.74 -47.89 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -32.6 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.36 -18.51 61.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.7 m -96.06 6.34 49.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.8 t30 80.07 11.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.26 17.88 61.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.589 1.181 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 75.9 p -90.9 -45.31 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -39.05 154.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.13 -179.22 5.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.052 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.58 108.43 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -46.07 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 54.3 p-80 -176.21 176.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.672 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.23 176.49 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.91 -149.21 50.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 153.42 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 0.705 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 50' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.21 129.91 36.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.9 44.74 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 108.243 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -93.51 -21.36 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.86 52.32 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.48 88.26 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.7 Cg_endo -74.9 153.51 42.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.5 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -34.7 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -108.65 -81.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' THR . 0.1 OUTLIER 45.75 26.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.489 HG22 ' H ' ' A' ' 18' ' ' LEU . 1.9 m 36.79 -151.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -107.72 19.59 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 134.45 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -123.69 119.88 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.88 108.1 6.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 147.06 33.29 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.415 1.745 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 50' ' ' LEU . 1.5 pt? -159.02 168.4 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.7 t -125.52 149.93 47.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.52 159.75 14.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -55.69 -28.32 54.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 48' ' ' LEU . 17.6 p-10 -77.7 -4.71 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.3 t-20 81.56 30.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.7 mttt -90.63 139.67 30.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 122.64 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.5 m-85 -117.15 156.5 27.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.14 -25.91 5.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.72 153.41 49.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -63.31 -31.28 72.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -44.13 90.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 108.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -36.38 83.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 77.6 t80 -67.58 -50.45 58.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 42' ' ' VAL . 94.6 m -62.95 -29.73 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -62.12 -44.68 96.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -36.65 66.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 46' ' ' GLY . 19.2 t -55.57 -46.84 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' CYS . 17.4 t -59.83 -31.88 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.21 -27.51 64.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.59 8.01 6.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 87.68 17.41 58.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.0 m -87.56 -45.87 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.68 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.3 tp -37.56 145.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.99 177.47 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 23' ' ' LEU . 9.5 tt -104.38 105.93 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -50.23 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -168.58 176.59 5.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.22 175.75 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 54.79 177.57 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 151.88 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.227 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.9 137.12 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.68 42.23 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -87.63 -25.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.17 62.03 1.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -165.19 91.38 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 135.89 19.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -17.61 23.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.84 -32.83 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 12' ' ' PRO . . . -79.49 -101.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m 42.14 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -66.88 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.93 23.16 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 101.75 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -94.23 120.09 33.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 23' ' ' LEU . 7.2 mmm180 -143.47 108.2 5.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.98 134.66 18.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.771 HD21 ' HE2' ' A' ' 34' ' ' LYS . 1.3 mp -142.27 166.08 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . 11.8 t -126.0 141.17 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.309 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.92 169.37 17.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.456 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -67.83 -17.06 64.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' OD2' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -98.34 12.25 35.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 72.11 30.6 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -85.6 126.05 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -96.05 103.39 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 48' ' ' LEU . 48.5 m-85 -86.78 160.64 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 33' ' ' ASN . . . -122.49 -2.32 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' CG ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -162.68 159.14 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 0.719 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.771 ' HE2' HD21 ' A' ' 23' ' ' LEU . 25.7 mmtt -69.28 -43.79 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -37.57 83.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 10.7 t80 -67.65 -49.21 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.12 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.6 -44.41 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.63 -36.18 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 37' ' ' PHE . 32.2 t -61.15 -48.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -32.57 53.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -75.43 -17.02 60.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -102.22 21.5 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.596 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 68.05 10.22 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 83.03 18.54 64.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 45' ' ' ASN . 72.7 p -85.92 -47.05 10.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 31' ' ' TYR . 6.4 tp -38.89 147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.533 ' H ' HD12 ' A' ' 48' ' ' LEU . 27.7 p -130.52 175.03 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 2.1 tp -103.64 105.73 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -41.98 90.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 47.3 p-80 -174.11 179.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.5 m-85 -84.98 -179.52 7.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.97 -162.85 5.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -72.45 165.23 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.748 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.606 ' CG2' HD22 ' A' ' 50' ' ' LEU . 94.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -98.64 126.47 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.7 t -132.62 10.79 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -87.51 -28.94 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 6.6 mm-40 -124.03 54.93 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 4.7 m-85 -175.93 73.69 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.52 41.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -17.87 26.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.71 18.39 13.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.8 74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -179.15 59.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 77.4 p -117.96 158.38 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.81 -55.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -66.35 99.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -95.29 120.0 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CB ' ' HE2' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -134.84 107.43 10.64 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.98 147.32 33.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.915 HD12 HD13 ' A' ' 50' ' ' LEU . 1.5 pt? -164.25 150.89 11.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' ' 50' ' ' LEU . 3.8 t -109.5 149.22 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.84 165.07 16.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -15.84 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.922 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.5 p-10 -92.23 -4.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 t30 81.92 26.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.9 mttm -85.77 137.6 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -96.69 116.91 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 70.2 m-85 -113.57 151.15 32.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -105.89 -11.88 27.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 70.8 m-20 -148.49 157.85 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.42 -27.26 58.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.41 -39.01 85.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -39.19 66.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.9 t80 -62.6 -55.6 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.81 -31.65 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.43 -44.21 97.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.32 -31.89 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' PHE . 24.9 t -57.67 -48.05 84.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 38' ' ' CYS . 23.9 t -59.61 -31.92 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.54 -19.94 60.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -97.69 28.42 3.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.19 10.06 7.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.18 80.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -45.64 15.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 27' ' ' ASP . 10.9 tp -45.72 130.7 9.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.364 1.04 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.58 -167.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 tp -109.27 117.26 33.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -40.0 60.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -177.06 171.34 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.52 173.82 12.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.91 179.97 2.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.427 1.08 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 0.795 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' VAL . 19.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.02 123.62 26.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 21.66 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 p -82.57 -21.11 35.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -132.45 46.83 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -160.43 91.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.12 35.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -71.72 -18.05 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.15 9.24 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.56 78.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.63 99.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 19' ' ' GLU . 4.8 m -131.51 -131.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 1.3 mt -39.85 -29.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 17' ' ' THR . 2.2 mp0 -65.22 97.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -109.73 130.12 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 108.23 4.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -137.71 159.36 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.9 t -124.62 121.91 36.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 160.28 31.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -58.23 -24.33 58.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.771 . . . . 0.0 109.901 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.788 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.7 p-10 -82.45 -3.96 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 t-20 81.73 30.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -89.77 151.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -112.42 115.27 28.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 18.4 m-85 -111.28 123.21 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -1.32 86.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 19' ' ' GLU . 78.4 m-20 -163.8 156.92 18.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HE2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.06 -35.86 82.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 m -60.45 -44.33 95.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -35.53 80.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.9 t80 -66.5 -48.07 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' LYS . 5.1 m -63.91 -30.63 71.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.79 -43.79 98.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.61 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 48' ' ' LEU . 3.7 t -57.79 -48.84 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -41.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.205 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.13 -12.24 61.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.89 18.3 20.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.86 3.84 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 87.11 8.72 74.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 m -79.28 -45.08 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.447 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.788 HD11 ' CG ' ' A' ' 27' ' ' ASP . 1.7 tt -39.09 141.02 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 3.3 p -121.34 -170.34 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 24' ' ' CYS . 11.3 tp -115.56 114.54 25.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 24' ' ' CYS . 44.9 p-80 -156.92 170.5 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.663 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.9 OUTLIER -82.06 176.87 9.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.3 -161.58 53.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 166.58 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 0.818 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.741 HG21 HD13 ' A' ' 50' ' ' LEU . 76.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.64 136.09 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -130.01 32.55 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -87.72 -26.49 22.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -135.1 55.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -159.02 79.21 2.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.76 41.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.57 -4.45 54.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.34 -125.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 57.29 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -67.69 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.12 19.23 8.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 21' ' ' ARG . 1.9 mp0 -69.07 96.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -93.05 119.77 32.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.578 1.174 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.8 mpp_? -141.89 107.29 5.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.99 147.33 33.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -159.05 167.07 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' CYS . 8.2 t -118.89 149.33 41.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.79 166.36 13.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -29.68 59.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.759 ' OD1' HD12 ' A' ' 48' ' ' LEU . 1.2 m-20 -82.82 -0.09 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t30 79.03 26.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.62 127.17 34.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.21 107.21 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.345 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.811 ' OH ' HD21 ' A' ' 48' ' ' LEU . 6.8 m-85 -96.14 160.82 14.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.39 -28.24 6.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -141.54 166.95 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -27.42 58.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -46.7 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -40.46 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' A' ' 31' ' ' TYR . 9.8 t80 -59.16 -52.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.1 t -63.7 -28.55 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -61.48 -44.57 96.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -34.46 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 48' ' ' LEU . 16.0 t -56.65 -47.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 38' ' ' CYS . 6.4 t -59.85 -31.94 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.95 -15.85 60.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 p -100.89 16.95 23.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.98 6.28 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.25 16.51 53.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 49' ' ' THR . 78.7 m -86.16 -48.5 8.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.811 HD21 ' OH ' ' A' ' 31' ' ' TYR . 3.0 tp -44.45 129.77 6.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 47' ' ' THR . 72.5 p -114.93 -174.1 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.741 HD13 HG21 ' A' ' 6' ' ' VAL . 1.7 tp -104.9 106.13 16.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -45.24 85.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -178.61 172.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 54' ' ' GLY . 11.6 m-85 -76.55 171.23 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 54.3 166.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 160.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.638 HG23 HD22 ' A' ' 50' ' ' LEU . 64.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.89 25.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.57 35.37 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 108.332 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -83.62 -31.16 26.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.43 56.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -171.72 87.65 0.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.1 Cg_endo -74.9 137.02 21.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -17.62 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.14 -17.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 -123.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.398 1.061 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 55.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.266 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.434 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 2.0 m -61.26 -139.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.87 17.86 12.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -65.89 135.7 55.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.627 1.204 . . . . 0.0 110.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.0 119.62 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -138.0 107.04 8.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 147.14 33.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 37' ' ' PHE . 1.4 pt? -159.99 170.32 21.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.5 t -125.52 150.53 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.41 163.99 13.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -21.71 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.707 ' OD1' HD11 ' A' ' 48' ' ' LEU . 20.8 p-10 -84.15 -7.27 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.7 t-20 83.18 36.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.244 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 6.1 tttt -99.95 134.61 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -95.5 117.25 30.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 46.8 m-85 -108.72 156.07 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.01 -28.02 10.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 10.7 m-20 -144.48 160.64 40.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -27.34 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -46.28 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.92 -35.65 80.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.653 ' CG ' HD11 ' A' ' 23' ' ' LEU . 27.2 t80 -63.34 -51.87 64.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.9 t -62.5 -30.22 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.63 -42.58 99.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.75 65.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.972 HG22 HD23 ' A' ' 48' ' ' LEU . 24.7 t -56.0 -46.05 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' CYS . 20.9 t -59.49 -35.67 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.54 -19.33 58.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -93.54 25.41 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 69.39 8.41 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.383 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.94 16.15 81.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 45' ' ' ASN . 67.4 p -93.34 -46.08 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.31 144.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -125.19 -173.69 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -104.16 114.18 28.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -47.64 78.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -171.68 174.14 4.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' GLY . 2.3 m-85 -80.88 174.41 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 52.82 171.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -43.17 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.753 ' CG1' HD22 ' A' ' 50' ' ' LEU . 4.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.35 131.47 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.66 36.17 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 108.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 -16.63 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.49 22.31 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -150.75 89.13 4.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.7 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.08 160.89 39.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -17.22 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.23 -55.04 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -72.19 60.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.28 78.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 18' ' ' LEU . 3.5 t -117.82 -126.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' N ' HG23 ' A' ' 17' ' ' THR . 0.4 OUTLIER -39.8 -29.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.7 mp0 -64.82 96.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.53 120.48 39.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.92 108.21 9.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.421 1.748 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD13 ' A' ' 50' ' ' LEU . 1.8 pt? -158.68 165.01 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 t -122.0 147.78 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 108.256 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.48 163.77 14.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -62.35 -18.11 60.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.3 p-10 -88.78 -5.67 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.6 t-20 82.89 37.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 43.7 mttt -97.89 132.27 43.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -96.17 108.18 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.2 m-85 -102.32 156.36 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -100.08 -28.75 7.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 17.4 m-20 -141.78 157.68 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.0 mmtt -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.51 -46.34 80.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.295 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.35 -36.79 84.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 21.0 t80 -65.82 -50.4 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.72 -28.87 70.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.96 -44.69 95.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.208 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.91 -41.2 64.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 37' ' ' PHE . 4.1 t -55.75 -44.61 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -76.18 -20.31 57.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 13.8 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.62 6.14 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.64 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.7 m -84.86 -56.16 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.67 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -39.9 136.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -120.21 179.39 4.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD13 HD12 ' A' ' 23' ' ' LEU . 11.1 tp -99.58 115.37 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -47.36 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 25.1 p80 -171.7 174.72 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.99 174.59 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.5 169.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.467 HG13 HD22 ' A' ' 50' ' ' LEU . 27.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.23 115.59 22.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.02 28.75 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -94.65 -24.59 17.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 mm-40 -131.08 60.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -167.16 86.02 0.81 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 158.65 41.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -18.48 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.86 13.86 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -125.16 70.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER 174.65 109.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 108.348 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.8 m -133.23 -126.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -39.44 -34.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -65.71 111.69 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.52 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -125.88 110.65 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.08 147.16 33.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' CD ' ' A' ' 34' ' ' LYS . 1.4 mp -140.28 167.17 22.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 41.8 t -122.69 142.38 50.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -107.51 157.67 15.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.455 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 2.0 t -58.46 -29.62 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -86.75 12.42 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 72.85 35.5 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -85.8 149.69 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -118.51 103.98 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 31.3 m-85 -91.52 162.23 14.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 1.058 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.95 -23.3 6.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.28 170.77 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.82 ' CD ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.45 -34.46 58.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 108.342 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -35.85 81.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -64.43 -52.67 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.2 -31.36 72.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.71 64.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.799 HG21 ' CE1' ' A' ' 37' ' ' PHE . 39.8 t -63.96 -43.78 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -38.68 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.44 -11.99 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -94.27 7.72 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.5 6.05 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.72 15.63 56.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m -81.32 -52.12 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 10.0 tp -49.26 146.32 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 17.1 p -132.57 177.7 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.33 107.48 18.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -41.52 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 43.2 p-80 -173.67 -175.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.6 m-85 -86.97 -174.3 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CA ' ' A' ' 23' ' ' LEU . . . 59.01 -150.03 37.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.296 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.693 ' CG2' HD22 ' A' ' 50' ' ' LEU . 53.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.63 129.05 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.45 -3.42 57.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -30.28 57.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.54 -34.69 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.01 92.17 25.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 152.48 40.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -17.76 19.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.77 13.17 16.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -128.43 84.73 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.17 113.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 108.246 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -138.08 -139.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -31.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.96 103.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.83 133.03 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -143.46 115.65 5.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 146.58 32.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.902 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.74 166.45 24.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.6 t -120.88 147.65 45.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 108.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.58 163.21 12.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -63.88 -23.27 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' HD21 ' A' ' 48' ' ' LEU . 19.9 p-10 -86.29 4.09 40.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 73.79 40.74 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -101.76 152.64 20.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -112.82 103.85 11.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 64.6 m-85 -85.32 166.76 16.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.54 -19.08 6.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.579 1.174 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -159.57 173.06 16.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -34.46 71.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.6 m -63.24 -46.03 88.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -63.02 -37.67 88.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 41' ' ' VAL . 64.8 t80 -63.77 -54.42 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.657 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.7 t -63.22 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.76 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.77 -33.51 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 37' ' ' PHE . 44.6 t -58.81 -48.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 38' ' ' CYS . 86.5 t -59.04 -41.96 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.54 -18.47 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.24 21.83 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 110.043 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 72.07 5.47 5.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 80.22 18.47 71.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 45' ' ' ASN . 74.5 p -93.09 -45.62 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 0.809 . . . . 0.0 110.378 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 44' ' ' SER . 5.7 tp -40.17 147.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -130.69 -179.86 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' HB3' ' A' ' 23' ' ' LEU . 5.3 tp -100.08 107.59 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -44.07 85.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 26.7 p80 -176.01 -176.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.7 m-85 -89.06 176.21 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' PRO . . . 65.74 -147.78 50.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.6 OUTLIER -101.39 144.86 29.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.757 HG21 ' CE1' ' A' ' 37' ' ' PHE . 84.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -105.13 102.5 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.7 t -112.6 19.51 17.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.67 -18.88 20.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -116.58 -6.84 11.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.9 87.79 43.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.97 159.37 41.53 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -18.16 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.94 16.71 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -147.01 94.36 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.26 105.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 108.224 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' GLU . 2.9 m -131.09 -133.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.1 mp0 -65.68 97.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 2.3 t80 -112.05 126.69 55.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 20' ' ' TYR . 2.7 mmm180 -143.37 107.99 5.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.941 ' O ' HD13 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -74.95 139.52 24.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -127.82 157.43 40.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 50' ' ' LEU . 37.9 t -126.26 110.08 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -77.0 146.97 32.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.2 OUTLIER -71.17 -12.77 61.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 48' ' ' LEU . 18.2 p-10 -84.24 0.82 47.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.9 t-20 83.94 43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -119.31 149.51 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -116.27 134.69 54.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 42.6 m-85 -124.91 160.73 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -112.18 -25.68 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.48 167.3 22.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.73 -27.69 66.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.43 -36.23 73.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -67.38 -44.55 78.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.779 ' CE2' HD13 ' A' ' 50' ' ' LEU . 6.9 t80 -67.72 -42.98 81.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.896 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 t -68.18 -28.21 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 108.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.91 -45.4 92.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -73.21 -36.87 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 48' ' ' LEU . 30.5 t -55.83 -48.29 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 38' ' ' CYS . 25.8 t -63.33 -37.79 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.26 -17.04 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ALA . 2.0 m -97.98 12.82 32.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.68 10.29 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 41' ' ' VAL . . . 89.57 16.83 56.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 57.3 m -87.61 -29.89 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 0.797 . . . . 0.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.8 tm? -38.86 136.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 48' ' ' LEU . 27.7 p -110.51 168.48 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' CE2' ' A' ' 37' ' ' PHE . 48.5 tp -123.49 101.11 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -37.46 87.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 17.6 p80 -175.6 179.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 5.0 m-85 -90.42 175.3 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 69.11 -158.71 53.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -87.68 154.09 20.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 108.379 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.932 HG23 HD22 ' A' ' 50' ' ' LEU . 5.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.85 128.63 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.23 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.2 t -94.1 -23.62 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.04 45.88 2.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 110.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -170.52 88.1 0.51 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 153.62 41.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.552 1.817 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -59.41 -19.14 44.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.33 10.21 17.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -135.72 85.85 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.01 105.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' LEU . 24.7 m -138.82 -119.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -39.21 -36.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.8 pm0 -65.57 104.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.41 125.24 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -139.75 112.29 7.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 147.5 33.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 50' ' ' LEU . 2.0 pt? -159.87 145.95 15.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 50' ' ' LEU . 45.6 t -102.18 141.09 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.35 169.5 26.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 13.1 t -62.88 -24.65 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.673 ' CG ' HD11 ' A' ' 48' ' ' LEU . 18.7 p-10 -85.49 -0.79 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 8.2 t30 78.72 33.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.381 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.2 tttp -91.03 134.73 34.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.49 104.0 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 62.4 m-85 -97.8 154.6 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.04 -28.12 8.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 13.1 t-20 -146.3 167.51 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -26.75 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.3 -45.53 84.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.246 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ASN . 2.1 t-20 -69.01 -34.68 75.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.604 ' CE1' HG21 ' A' ' 41' ' ' VAL . 3.9 t80 -64.41 -50.72 66.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 t -63.59 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.2 t30 -61.73 -43.72 98.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.02 -39.29 66.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.66 -42.59 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -36.52 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -19.68 62.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 1.6 m -95.43 24.87 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.483 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 67.75 10.85 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.32 17.95 78.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.483 HG23 ' HB3' ' A' ' 45' ' ' ASN . 70.3 p -90.47 -47.47 7.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD11 ' CG ' ' A' ' 27' ' ' ASP . 3.4 tp -39.87 150.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 26' ' ' SER . 1.0 OUTLIER -126.49 -169.0 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.932 HD22 HG23 ' A' ' 6' ' ' VAL . 3.7 tp -110.54 111.84 23.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 24' ' ' CYS . 77.6 p -61.25 -67.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.31 168.76 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.512 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.01 172.03 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.37 -177.62 3.38 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -68.1 145.87 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.28 81.39 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -174.23 121.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 5' ' ' SER . 73.5 t -118.07 160.48 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' N ' HG12 ' A' ' 4' ' ' VAL . 60.0 p -158.26 126.84 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m -100.1 111.58 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -84.99 136.08 33.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 24.22 5.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -94.01 -30.05 14.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.06 -29.99 13.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.07 88.82 45.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 157.74 42.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -17.99 20.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.06 12.7 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -133.63 75.4 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 100.22 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 108.276 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 ' C ' ' N ' ' A' ' 19' ' ' GLU . 66.3 p -133.44 -137.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.35 -31.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 17' ' ' THR . 5.7 mp0 -66.91 99.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -117.65 129.67 55.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -144.75 113.57 5.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 143.3 28.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.5 mp -140.35 169.44 17.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 39.6 t -131.26 131.42 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.64 160.47 23.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.2 t -59.57 -21.86 60.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -86.47 -3.56 59.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.2 t-20 82.74 35.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -92.42 134.13 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.88 104.75 16.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.791 ' OH ' HD21 ' A' ' 48' ' ' LEU . 49.4 m-85 -92.73 161.92 14.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.86 -13.31 14.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -168.85 -177.15 2.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -73.62 -28.85 62.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.7 m -70.38 -42.63 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -38.35 89.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.733 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.8 t80 -70.18 -43.04 71.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -27.9 66.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' O ' HG12 ' A' ' 42' ' ' VAL . 14.6 t30 -65.55 -46.16 80.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.35 -41.04 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.62 HG23 HD22 ' A' ' 48' ' ' LEU . 2.6 t -56.04 -43.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.68 -38.37 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.08 -17.84 63.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -91.95 -15.14 28.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 44' ' ' SER . 2.4 t-20 89.04 3.93 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 18.45 19.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -93.91 -32.07 14.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.791 HD21 ' OH ' ' A' ' 31' ' ' TYR . 10.4 tt -60.55 139.22 57.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 2.8 p -122.26 173.84 7.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD12 ' CE2' ' A' ' 37' ' ' PHE . 8.6 tt -101.8 110.49 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -40.21 78.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -175.88 177.86 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.656 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -91.59 175.29 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . 73.73 -149.66 41.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.57 148.13 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 109.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.302 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.04 79.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.4 62.22 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.9 m -59.76 166.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -128.86 141.95 51.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.6 t -98.04 134.04 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.68 136.0 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 t -128.48 15.17 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.5 -29.09 14.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -98.07 -29.67 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -122.63 85.97 49.13 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.94 162.35 37.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -17.73 63.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.36 16.2 13.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -164.03 103.4 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 p 168.58 63.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.34 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 76.8 p -116.36 155.78 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 82.04 -55.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -65.85 130.77 44.44 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -124.06 119.69 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 109.34 6.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.01 136.96 21.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.888 HD21 ' HD2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -135.7 165.06 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.177 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -130.78 130.76 44.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.51 164.22 24.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -60.65 -28.94 68.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 0.735 . . . . 0.0 109.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 18.2 p-10 -79.34 -3.62 47.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.4 t30 82.54 31.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 2.1 tttm -87.43 143.06 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 m -105.97 112.24 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.727 ' OH ' HD21 ' A' ' 48' ' ' LEU . 45.7 m-85 -103.97 165.65 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -120.21 -1.41 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -165.54 158.35 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.888 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -67.76 -34.05 76.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -63.45 -46.72 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.434 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 2.0 t30 -61.52 -36.2 79.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.894 ' CE2' HD12 ' A' ' 50' ' ' LEU . 39.0 t80 -66.76 -49.39 66.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.925 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -63.5 -29.19 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.31 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -62.13 -44.99 95.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.16 67.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.609 ' CG2' HD23 ' A' ' 48' ' ' LEU . 20.2 t -56.02 -47.59 80.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 38' ' ' CYS . 22.4 t -62.53 -31.85 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -74.93 -26.25 59.48 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.105 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -91.03 21.08 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.063 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.89 9.03 7.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.03 18.0 60.22 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.2 m -88.31 -46.34 9.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.796 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.727 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -40.55 139.93 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -125.74 171.17 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.894 HD12 ' CE2' ' A' ' 37' ' ' PHE . 3.0 tp -97.62 106.54 18.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.72 96.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 24' ' ' CYS . 22.0 p80 -175.95 -177.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.57 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.4 m-85 -95.94 176.78 5.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.27 166.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.24 142.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.321 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.37 158.57 44.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.38 75.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.823 HG13 HD23 ' A' ' 50' ' ' LEU . 5.6 p -49.78 166.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.423 1.077 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.504 ' N ' HG22 ' A' ' 4' ' ' VAL . 74.3 m -123.62 143.71 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.852 HG23 HD22 ' A' ' 50' ' ' LEU . 14.7 t -98.43 134.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -115.67 136.32 53.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.29 28.3 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.33 -28.31 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.82 41.67 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -157.24 67.24 4.0 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.07 157.65 42.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -17.91 16.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -86.14 2.98 44.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.552 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -127.02 79.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -174.76 87.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 108.291 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.962 HG22 HD13 ' A' ' 18' ' ' LEU . 6.6 m -62.05 -129.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -91.86 27.19 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.383 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -82.9 129.94 35.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.372 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -122.46 120.09 32.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -139.35 108.31 7.33 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 146.68 33.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -154.92 171.38 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.1 t -127.65 144.77 51.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.58 162.71 14.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -17.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -85.19 -9.5 57.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 t-20 83.71 27.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -93.27 132.78 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.55 109.84 22.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 39.3 m-85 -98.32 160.71 14.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.69 -28.34 8.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -145.55 166.64 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.6 -27.82 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.88 -45.32 86.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.309 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.83 -43.51 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 7.3 t80 -58.03 -52.97 63.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -27.67 69.49 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 42' ' ' VAL . 37.2 t30 -65.01 -45.82 83.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.49 65.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.437 ' HA ' HD23 ' A' ' 48' ' ' LEU . 2.7 t -55.3 -44.86 77.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -59.81 -40.22 82.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.93 -22.56 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -92.46 18.07 9.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 71.43 6.6 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.73 14.75 62.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -84.82 -51.62 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.766 . . . . 0.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD21 ' OH ' ' A' ' 31' ' ' TYR . 2.0 tp -41.22 142.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.408 ' N ' HD12 ' A' ' 48' ' ' LEU . 3.5 p -129.08 -173.1 2.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.461 1.1 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 HG23 ' A' ' 6' ' ' VAL . 2.7 tp -105.24 111.6 24.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -67.4 -50.26 60.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 56.5 p-80 -166.22 176.72 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.635 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' HE1' HG11 ' A' ' 4' ' ' VAL . 6.4 m-85 -87.35 173.3 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 58.85 -161.3 13.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -66.66 151.29 47.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.3 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.14 89.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.91 142.93 52.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 50' ' ' LEU . 32.7 m -55.31 161.48 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -159.6 149.9 18.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.947 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.93 149.32 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -87.6 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.5 t -108.19 38.71 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -30.28 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -130.99 46.38 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -142.23 91.42 7.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.94 39.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.86 -17.91 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -84.04 2.57 38.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.93 63.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.65 105.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 18' ' ' LEU . 17.5 m -133.42 -130.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -39.43 -36.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -65.92 95.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.85 127.14 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 110.79 8.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.96 146.95 33.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.603 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.2 mp -139.18 169.32 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' O ' HD12 ' A' ' 50' ' ' LEU . 49.3 t -131.66 128.87 39.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 108.23 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.28 164.15 24.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -59.96 -26.64 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.052 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -86.29 10.73 13.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.81 37.77 2.29 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -94.09 129.24 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -96.05 104.39 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.442 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 63.5 m-85 -90.18 165.82 13.73 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -110.05 -21.98 6.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.542 1.151 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -155.0 170.05 22.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -71.8 -27.83 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -68.02 -46.33 71.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 0.0 108.293 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -38.6 91.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 1.9 t80 -63.88 -52.76 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -28.06 69.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.468 ' O ' HG12 ' A' ' 42' ' ' VAL . 16.9 t-20 -64.05 -45.33 89.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -41.09 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.91 -42.29 70.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.67 -36.71 67.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.33 -20.18 62.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.602 1.189 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 47' ' ' THR . 20.8 p -91.55 -1.65 57.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' SER . 3.1 t-20 77.94 15.79 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.31 17.18 63.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 44' ' ' SER . 76.5 p -85.27 -45.81 11.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 48' ' ' LEU . 13.9 tp -55.29 145.36 22.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -124.36 -177.12 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 12.6 tp -107.22 107.79 18.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -41.49 96.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 22.9 p80 -176.37 -179.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.506 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.3 m-85 -87.69 177.17 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.25 -176.37 0.38 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 22' ' ' PRO . 8.1 mtmm -66.81 145.4 55.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.351 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 40.65 77.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.8 148.9 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' ' 50' ' ' LEU . 4.8 t -125.64 148.58 30.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 t -175.11 141.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.558 HG11 ' HG3' ' A' ' 34' ' ' LYS . 2.5 m -97.88 152.43 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -79.01 121.2 24.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 p -104.16 -6.53 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -20.25 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -102.03 -14.87 16.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.86 85.59 16.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 155.69 42.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -20.36 57.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.78 16.09 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -163.0 101.56 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.173 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 170.36 42.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 108.356 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 69.5 p -91.95 142.57 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.62 -50.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.74 101.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -110.91 119.61 39.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 107.27 4.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.08 147.29 33.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.783 HD12 HD13 ' A' ' 50' ' ' LEU . 1.3 pt? -146.48 172.58 13.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.49 ' O ' HD12 ' A' ' 50' ' ' LEU . 6.0 t -123.61 144.65 49.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.62 174.56 25.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.1 OUTLIER -70.28 -15.69 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -97.85 2.06 48.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.2 t30 81.39 27.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.86 131.81 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.392 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m -100.19 106.98 18.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.589 1.181 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 59.8 m-85 -97.65 163.27 12.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -93.94 -28.03 11.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -152.5 168.57 25.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.346 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG3' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -67.94 -27.75 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.389 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.91 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 108.275 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.11 -37.02 84.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 23' ' ' LEU . 53.6 t80 -62.23 -52.73 62.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -27.99 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.2 t30 -61.98 -44.97 95.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.19 -37.74 66.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.361 1.038 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 48' ' ' LEU . 12.4 t -55.69 -46.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -39.03 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -19.01 60.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -94.69 19.58 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.965 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.42 9.62 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 85.85 15.08 66.09 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.8 m -81.71 -55.48 4.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 110.37 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -40.4 138.83 0.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.441 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 5.7 p -125.09 176.92 6.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.783 HD13 HD12 ' A' ' 23' ' ' LEU . 5.4 tp -99.93 111.35 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -55.89 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 50.4 p-80 -161.37 176.8 10.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 0.0 109.606 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.7 m-85 -85.82 177.12 7.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 51.8 174.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 147.5 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.48 172.05 9.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.14 120.68 26.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 5' ' ' SER . 2.6 p -167.63 174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.544 ' H ' HG22 ' A' ' 4' ' ' VAL . 3.1 p 63.09 125.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -98.65 130.84 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.94 118.93 25.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.11 40.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -88.77 -30.64 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.89 59.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 4.5 m-85 -175.02 80.19 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.66 42.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -20.93 64.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.35 1.64 31.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.82 90.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 p -174.09 61.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.0 108.226 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 p -125.08 149.89 47.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 80.13 -54.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 21' ' ' ARG . 2.6 mp0 -65.96 122.04 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.65 119.57 34.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 23' ' ' LEU . 16.0 mtm180 -138.98 107.95 7.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.07 144.34 29.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.82 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.789 HD21 ' CE ' ' A' ' 34' ' ' LYS . 2.7 mp -141.75 169.56 17.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.29 127.75 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 108.27 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.27 165.56 29.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.038 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -61.75 -26.47 68.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.79 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.889 ' OD1' HD11 ' A' ' 48' ' ' LEU . 11.8 p-10 -89.93 14.63 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 68.74 35.3 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 12.6 tttt -85.86 126.43 34.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.56 103.9 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.755 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 52.5 m-85 -93.68 161.13 14.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.18 -1.9 16.13 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.529 1.143 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 4.7 m-20 -164.38 165.42 21.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.789 ' CE ' HD21 ' A' ' 23' ' ' LEU . 11.6 mmtt -74.77 -39.99 61.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 3.3 p -61.31 -46.6 89.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.423 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -60.49 -43.17 97.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.755 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t80 -60.19 -49.42 77.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.3 t -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.1 t-20 -65.87 -45.1 83.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.78 -33.14 66.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.6 t -64.23 -44.62 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -60.39 -41.54 87.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.611 1.194 . . . . 0.0 109.245 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.43 -14.79 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.24 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -95.41 15.82 18.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 110.04 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.19 7.2 6.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.43 15.82 65.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -86.11 -48.52 8.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.889 HD11 ' OD1' ' A' ' 27' ' ' ASP . 8.6 tp -39.92 145.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 p -131.16 179.87 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 3.3 tp -106.89 106.38 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -37.63 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' HD11 ' A' ' 50' ' ' LEU . 20.8 p80 -175.71 -179.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.639 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.474 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 2.8 m-85 -86.88 177.12 7.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.84 172.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -53.14 166.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.93 -171.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.22 63.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.726 HG23 HD23 ' A' ' 50' ' ' LEU . 18.0 m -62.41 163.02 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -172.4 131.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 37' ' ' PHE . 1.2 m -99.26 115.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.49 102.71 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -101.48 43.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.6 m -90.37 -29.65 17.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.61 52.31 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -154.11 76.72 5.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.674 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 151.82 40.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -68.71 -18.44 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.42 8.0 38.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -145.18 58.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -151.8 -105.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 108.315 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 19' ' ' GLU . 9.4 p 52.58 172.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp 69.99 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.6 pt-20 -65.95 135.54 54.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 118.9 29.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -137.92 108.31 8.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.246 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.97 146.97 33.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD12 HD13 ' A' ' 50' ' ' LEU . 2.1 pt? -166.0 164.63 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.457 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.6 t -127.0 144.72 50.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.54 165.94 16.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -27.01 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 43.1 p-10 -76.7 -6.65 53.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.9 t-20 79.03 24.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 19.4 tttt -85.78 140.71 30.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -96.19 121.72 38.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.9 m-85 -115.65 151.96 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.46 -1.61 43.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 23.0 m-20 -165.58 160.62 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.252 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.1 mmtt -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.84 -41.57 87.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 108.276 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.56 -37.09 76.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CB ' HD11 ' A' ' 23' ' ' LEU . 30.0 t80 -64.83 -51.74 60.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.991 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 t -62.97 -30.07 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -61.55 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.81 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.583 ' CG2' HD23 ' A' ' 48' ' ' LEU . 14.8 t -57.32 -44.6 84.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 38' ' ' CYS . 4.8 t -59.53 -32.67 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 -16.92 59.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' THR . 3.3 m -101.54 28.68 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.575 ' HB2' HG23 ' A' ' 47' ' ' THR . 65.5 m-80 61.89 13.99 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 76.83 14.59 82.42 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 45' ' ' ASN . 43.8 p -83.24 -50.09 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' CG2' ' A' ' 41' ' ' VAL . 1.4 tp -41.62 145.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.1 p -124.4 -168.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.782 HD13 HD12 ' A' ' 23' ' ' LEU . 6.0 tp -106.0 113.43 26.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.18 -43.28 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.049 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -176.22 175.74 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.424 ' CZ ' ' NZ ' ' A' ' 34' ' ' LYS . 2.8 m-85 -87.61 176.22 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.74 -178.56 2.42 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 151.39 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.73 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.61 71.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.38 138.25 10.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.524 HG22 ' N ' ' A' ' 5' ' ' SER . 14.6 p -133.53 170.34 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.524 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.3 t 64.31 116.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 37' ' ' PHE . 1.4 m -103.2 133.49 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -80.83 132.09 35.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.3 13.95 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -20.35 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -104.01 -11.13 17.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.082 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -133.33 88.26 35.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.74 41.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.547 1.814 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -17.68 60.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.04 -62.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 63.79 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.05 85.83 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 108.302 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -64.29 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.83 55.2 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.618 1.198 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -87.33 102.3 14.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.351 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -96.14 118.39 32.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.3 mpt_? -147.52 108.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.04 135.75 19.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.815 HD21 ' HD2' ' A' ' 34' ' ' LYS . 1.5 mp -141.28 170.2 16.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 54.1 t -130.2 141.04 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 161.61 15.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -59.54 -29.6 68.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 0.805 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 17.6 p-10 -77.07 -6.05 51.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.7 t-20 84.01 37.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 4.0 ttpt -92.02 153.18 19.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 55' ' ' LYS . 1.9 m -111.61 103.64 11.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 48.5 m-85 -90.4 155.91 18.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -112.98 -1.42 25.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 1.5 p-10 -174.56 159.35 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.815 ' HD2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.72 -29.48 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -42.48 99.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 108.241 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -37.49 76.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 78.4 t80 -61.82 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.5 p -67.55 -27.78 67.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 108.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.2 t-20 -68.85 -46.25 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.48 -33.29 66.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.26 -42.92 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.85 -35.81 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.01 -18.45 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 p -93.24 13.12 22.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.45 7.17 6.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.74 14.89 58.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.7 m -81.15 -56.38 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 48' ' ' LEU . 6.8 tp -40.19 146.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -131.33 176.52 8.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 1.5 tp -101.9 106.74 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -41.61 99.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 42.2 p-80 -175.03 -177.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.4 m-85 -86.74 -175.07 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.89 -167.55 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.44 1.088 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD2' HG23 ' A' ' 30' ' ' THR . 0.7 OUTLIER -78.7 151.28 32.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 108.247 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.6 106.26 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.067 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.18 68.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 5' ' ' SER . 2.5 p -136.26 164.01 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.477 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.6 t -175.39 154.85 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.674 HG13 HD13 ' A' ' 50' ' ' LEU . 15.5 m -97.82 143.36 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.69 124.13 27.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 46.71 1.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t -96.39 -28.64 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -129.87 67.92 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 1.9 m-85 179.82 88.83 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.93 143.13 28.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -16.9 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.37 -45.02 23.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 17' ' ' THR . . . -88.73 -122.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 26.0 p 41.42 74.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 108.385 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 15' ' ' ALA . 41.7 p -134.1 172.62 12.59 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.415 1.072 . . . . 0.0 110.392 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 77.36 -59.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.45 127.46 33.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -121.5 120.54 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -141.73 115.81 6.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.2 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.6 Cg_endo -75.02 141.72 26.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 111.037 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.835 HD21 ' HE3' ' A' ' 34' ' ' LYS . 1.2 mp -139.95 164.48 29.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 31.1 t -131.51 129.9 41.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.34 162.79 21.74 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -57.73 -24.68 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.963 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.752 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.6 p-10 -85.54 8.71 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.8 37.86 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -96.31 128.63 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -95.59 109.17 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.437 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 44.6 m-85 -99.43 173.34 6.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.77 -1.7 7.51 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -166.58 171.04 12.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HE3' HD21 ' A' ' 23' ' ' LEU . 37.7 mmtm -73.08 -26.65 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.7 m -69.17 -44.88 71.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -63.45 -42.81 98.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.052 ' CE2' HD12 ' A' ' 50' ' ' LEU . 13.5 t80 -65.16 -44.4 88.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.0 m -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.67 -45.95 87.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . . . -73.07 -41.12 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 37' ' ' PHE . 8.4 t -55.74 -47.89 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.46 -32.6 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -72.36 -18.51 61.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.7 m -96.06 6.34 49.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.8 t30 80.07 11.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.26 17.88 61.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.589 1.181 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 75.9 p -90.9 -45.31 8.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 0.749 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.4 OUTLIER -39.05 154.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -130.13 -179.22 5.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.052 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.58 108.43 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -46.07 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 54.3 p-80 -176.21 176.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.672 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.23 176.49 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 63.91 -149.21 50.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 153.42 20.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.398 0.705 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.4 -179.71 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.76 116.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 5' ' ' SER . 11.2 p -164.41 171.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.528 ' H ' HG22 ' A' ' 4' ' ' VAL . 34.9 t 66.32 118.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 50' ' ' LEU . 4.2 m -100.06 127.31 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.21 129.91 36.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m -123.9 44.74 2.64 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 108.243 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 t -93.51 -21.36 19.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.86 52.32 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.48 88.26 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 18.7 Cg_endo -74.9 153.51 42.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.5 59.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -34.7 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 12' ' ' PRO . . . -108.65 -81.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' THR . 0.1 OUTLIER 45.75 26.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.489 HG22 ' H ' ' A' ' 18' ' ' LEU . 1.9 m 36.79 -151.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 ' H ' HG22 ' A' ' 17' ' ' THR . 0.2 OUTLIER -107.72 19.59 19.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.96 134.45 52.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -123.69 119.88 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.88 108.1 6.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 147.06 33.29 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.415 1.745 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 50' ' ' LEU . 1.5 pt? -159.02 168.4 26.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.7 t -125.52 149.93 47.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.52 159.75 14.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 t -55.69 -28.32 54.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 48' ' ' LEU . 17.6 p-10 -77.7 -4.71 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.3 t-20 81.56 30.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.7 mttt -90.63 139.67 30.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 122.64 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.604 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.5 m-85 -117.15 156.5 27.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.14 -25.91 5.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.72 153.41 49.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -63.31 -31.28 72.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -44.13 90.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.601 1.188 . . . . 0.0 108.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -36.38 83.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 77.6 t80 -67.58 -50.45 58.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.97 ' O ' HG23 ' A' ' 42' ' ' VAL . 94.6 m -62.95 -29.73 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -62.12 -44.68 96.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.4 -36.65 66.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 46' ' ' GLY . 19.2 t -55.57 -46.84 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' CYS . 17.4 t -59.83 -31.88 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.21 -27.51 64.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 22.65 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.59 8.01 6.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 87.68 17.41 58.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 3.0 m -87.56 -45.87 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.68 HD11 ' OD1' ' A' ' 27' ' ' ASP . 14.3 tp -37.56 145.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.99 177.47 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD12 HD12 ' A' ' 23' ' ' LEU . 9.5 tt -104.38 105.93 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -50.23 73.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.373 1.046 . . . . 0.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -168.58 176.59 5.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.22 175.75 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 111.027 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 54.79 177.57 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 151.88 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.227 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 76.89 1.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.14 128.61 38.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.54 HG22 ' N ' ' A' ' 5' ' ' SER . 7.4 p -137.15 168.45 21.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.54 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.9 m -154.97 168.32 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.66 133.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.9 137.12 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.68 42.23 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -87.63 -25.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.17 62.03 1.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -165.19 91.38 0.93 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.401 1.063 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 135.89 19.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -17.61 23.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.84 -32.83 46.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 12' ' ' PRO . . . -79.49 -101.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m 42.14 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -66.88 -140.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.93 23.16 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 101.75 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -94.23 120.09 33.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 23' ' ' LEU . 7.2 mmm180 -143.47 108.2 5.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.98 134.66 18.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.564 1.823 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.771 HD21 ' HE2' ' A' ' 34' ' ' LYS . 1.3 mp -142.27 166.08 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' CB ' ' CE1' ' A' ' 52' ' ' HIS . 11.8 t -126.0 141.17 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 108.309 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.92 169.37 17.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.456 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -67.83 -17.06 64.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' OD2' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -98.34 12.25 35.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 72.11 30.6 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -85.6 126.05 33.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -96.05 103.39 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.481 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.832 ' OH ' HD21 ' A' ' 48' ' ' LEU . 48.5 m-85 -86.78 160.64 18.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' CG ' ' A' ' 33' ' ' ASN . . . -122.49 -2.32 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' CG ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -162.68 159.14 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 0.719 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.771 ' HE2' HD21 ' A' ' 23' ' ' LEU . 25.7 mmtt -69.28 -43.79 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -37.57 83.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -36.37 82.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 10.7 t80 -67.65 -49.21 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.12 -31.33 72.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -61.6 -44.41 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.63 -36.18 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 0.0 109.264 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 37' ' ' PHE . 32.2 t -61.15 -48.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -32.57 53.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -75.43 -17.02 60.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -102.22 21.5 14.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.596 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 68.05 10.22 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 83.03 18.54 64.86 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 45' ' ' ASN . 72.7 p -85.92 -47.05 10.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.832 HD21 ' OH ' ' A' ' 31' ' ' TYR . 6.4 tp -38.89 147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.533 ' H ' HD12 ' A' ' 48' ' ' LEU . 27.7 p -130.52 175.03 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 2.1 tp -103.64 105.73 16.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -41.98 90.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 47.3 p-80 -174.11 179.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.639 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 2.5 m-85 -84.98 -179.52 7.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 55.97 -162.85 5.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -72.45 165.23 25.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.748 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 45.88 -162.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.352 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.634 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 67.88 82.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.634 HG13 ' C ' ' A' ' 3' ' ' ALA . 1.9 m 55.99 163.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 4' ' ' VAL . 7.9 p -179.68 123.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.606 ' CG2' HD22 ' A' ' 50' ' ' LEU . 94.2 t -125.88 128.23 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -98.64 126.47 44.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.7 t -132.62 10.79 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -87.51 -28.94 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 6.6 mm-40 -124.03 54.93 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 4.7 m-85 -175.93 73.69 0.27 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.52 41.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -17.87 26.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.71 18.39 13.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.8 74.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -179.15 59.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 77.4 p -117.96 158.38 25.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER 84.81 -55.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -66.35 99.87 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -95.29 120.0 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CB ' ' HE2' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -134.84 107.43 10.64 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.98 147.32 33.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.915 HD12 HD13 ' A' ' 50' ' ' LEU . 1.5 pt? -164.25 150.89 11.3 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' ' 50' ' ' LEU . 3.8 t -109.5 149.22 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.84 165.07 16.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -60.29 -15.84 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.922 ' CG ' HD11 ' A' ' 48' ' ' LEU . 15.5 p-10 -92.23 -4.38 54.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 4.8 t30 81.92 26.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.9 mttm -85.77 137.6 32.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -96.69 116.91 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 70.2 m-85 -113.57 151.15 32.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -105.89 -11.88 27.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 70.8 m-20 -148.49 157.85 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.756 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -75.42 -27.26 58.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.41 -39.01 85.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -39.19 66.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.582 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.9 t80 -62.6 -55.6 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.81 -31.65 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -61.43 -44.21 97.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.32 -31.89 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 37' ' ' PHE . 24.9 t -57.67 -48.05 84.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 38' ' ' CYS . 23.9 t -59.61 -31.92 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -73.54 -19.94 60.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -97.69 28.42 3.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.19 10.06 7.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.18 80.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -45.64 15.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 27' ' ' ASP . 10.9 tp -45.72 130.7 9.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.364 1.04 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -119.58 -167.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 HD12 ' A' ' 23' ' ' LEU . 12.7 tp -109.27 117.26 33.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -40.0 60.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -177.06 171.34 2.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.52 173.82 12.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 59.91 179.97 2.07 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.427 1.08 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.86 171.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 0.795 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 108.265 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.23 178.46 1.7 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.72 157.62 4.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.381 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 5' ' ' SER . 7.6 p -84.58 167.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 4' ' ' VAL . 52.5 p -158.75 151.07 21.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 6' ' ' VAL . 19.3 m -97.87 117.08 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -77.02 123.62 26.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 21.66 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 p -82.57 -21.11 35.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -132.45 46.83 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -160.43 91.97 1.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.12 35.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -71.72 -18.05 62.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.218 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.15 9.24 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.56 78.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.63 99.26 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 ' C ' ' N ' ' A' ' 19' ' ' GLU . 4.8 m -131.51 -131.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' THR . 1.3 mt -39.85 -29.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 17' ' ' THR . 2.2 mp0 -65.22 97.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -109.73 130.12 55.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.81 108.23 4.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD21 ' HE2' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -137.71 159.36 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 1.9 t -124.62 121.91 36.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.29 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.14 160.28 31.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 1.0 OUTLIER -58.23 -24.33 58.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.771 . . . . 0.0 109.901 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.788 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.7 p-10 -82.45 -3.96 56.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.8 t-20 81.73 30.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -89.77 151.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -112.42 115.27 28.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 18.4 m-85 -111.28 123.21 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.75 -1.32 86.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 19' ' ' GLU . 78.4 m-20 -163.8 156.92 18.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 0.769 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HE2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.06 -35.86 82.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.6 m -60.45 -44.33 95.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -35.53 80.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 2.9 t80 -66.5 -48.07 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 34' ' ' LYS . 5.1 m -63.91 -30.63 71.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 108.282 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -61.79 -43.79 98.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.61 63.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 48' ' ' LEU . 3.7 t -57.79 -48.84 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.01 -41.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.205 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -72.13 -12.24 61.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.89 18.3 20.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 73.86 3.84 4.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 87.11 8.72 74.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 m -79.28 -45.08 20.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.447 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.788 HD11 ' CG ' ' A' ' 27' ' ' ASP . 1.7 tt -39.09 141.02 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 3.3 p -121.34 -170.34 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.374 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 24' ' ' CYS . 11.3 tp -115.56 114.54 25.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -59.94 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.599 ' CE1' ' SG ' ' A' ' 24' ' ' CYS . 44.9 p-80 -156.92 170.5 22.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.663 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.9 OUTLIER -82.06 176.87 9.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 111.049 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.3 -161.58 53.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 166.58 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 0.818 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . -44.27 163.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 67.47 160.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.543 ' HB ' HD23 ' A' ' 50' ' ' LEU . 13.7 m -55.45 162.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -169.78 110.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.741 HG21 HD13 ' A' ' 50' ' ' LEU . 76.8 t -98.09 131.42 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.64 136.09 47.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -130.01 32.55 4.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.367 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -87.72 -26.49 22.91 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.598 1.186 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -135.1 55.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -159.02 79.21 2.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.76 41.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -18.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.57 -4.45 54.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.34 -125.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 57.29 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -67.69 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.12 19.23 8.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 21' ' ' ARG . 1.9 mp0 -69.07 96.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -93.05 119.77 32.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.578 1.174 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.672 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.8 mpp_? -141.89 107.29 5.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.99 147.33 33.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -159.05 167.07 30.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' CYS . 8.2 t -118.89 149.33 41.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.79 166.36 13.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -29.68 59.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.759 ' OD1' HD12 ' A' ' 48' ' ' LEU . 1.2 m-20 -82.82 -0.09 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 5.0 t30 79.03 26.4 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.62 127.17 34.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -95.21 107.21 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.345 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.811 ' OH ' HD21 ' A' ' 48' ' ' LEU . 6.8 m-85 -96.14 160.82 14.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.39 -28.24 6.86 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -141.54 166.95 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -27.42 58.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -46.7 80.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -40.46 86.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CD1' ' CE2' ' A' ' 31' ' ' TYR . 9.8 t80 -59.16 -52.59 65.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.937 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.1 t -63.7 -28.55 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -61.48 -44.57 96.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -34.46 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 48' ' ' LEU . 16.0 t -56.65 -47.86 81.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 38' ' ' CYS . 6.4 t -59.85 -31.94 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -75.95 -15.85 60.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 p -100.89 16.95 23.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.98 6.28 5.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.25 16.51 53.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 49' ' ' THR . 78.7 m -86.16 -48.5 8.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.776 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.811 HD21 ' OH ' ' A' ' 31' ' ' TYR . 3.0 tp -44.45 129.77 6.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 47' ' ' THR . 72.5 p -114.93 -174.1 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.741 HD13 HG21 ' A' ' 6' ' ' VAL . 1.7 tp -104.9 106.13 16.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -45.24 85.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -178.61 172.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 54' ' ' GLY . 11.6 m-85 -76.55 171.23 14.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 54.3 166.56 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.69 160.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 2.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.36 55.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.87 68.49 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' N ' ' A' ' 5' ' ' SER . 9.0 p -137.34 167.8 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 4' ' ' VAL . 1.2 t 179.4 165.22 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.638 HG23 HD22 ' A' ' 50' ' ' LEU . 64.9 t -111.09 129.43 66.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.89 25.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.57 35.37 2.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 108.332 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -83.62 -31.16 26.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.43 56.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -171.72 87.65 0.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.1 Cg_endo -74.9 137.02 21.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -17.62 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.14 -17.29 52.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 -123.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.398 1.061 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER 55.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 108.266 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.434 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 2.0 m -61.26 -139.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 110.343 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.87 17.86 12.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -65.89 135.7 55.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.627 1.204 . . . . 0.0 110.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.0 119.62 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -138.0 107.04 8.11 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.95 147.14 33.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 37' ' ' PHE . 1.4 pt? -159.99 170.32 21.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.5 t -125.52 150.53 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.41 163.99 13.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -21.71 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.707 ' OD1' HD11 ' A' ' 48' ' ' LEU . 20.8 p-10 -84.15 -7.27 59.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.7 t-20 83.18 36.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.244 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 6.1 tttt -99.95 134.61 42.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -95.5 117.25 30.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 46.8 m-85 -108.72 156.07 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.01 -28.02 10.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 10.7 m-20 -144.48 160.64 40.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -27.34 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -46.28 84.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -66.92 -35.65 80.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.653 ' CG ' HD11 ' A' ' 23' ' ' LEU . 27.2 t80 -63.34 -51.87 64.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG23 ' A' ' 42' ' ' VAL . 38.9 t -62.5 -30.22 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -61.63 -42.58 99.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.75 65.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.972 HG22 HD23 ' A' ' 48' ' ' LEU . 24.7 t -56.0 -46.05 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' CYS . 20.9 t -59.49 -35.67 60.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.54 -19.33 58.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -93.54 25.41 3.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 69.39 8.41 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.383 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.94 16.15 81.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 45' ' ' ASN . 67.4 p -93.34 -46.08 7.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 0.729 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.972 HD23 HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.31 144.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 p -125.19 -173.69 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD22 HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -104.16 114.18 28.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -47.64 78.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -171.68 174.14 4.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.597 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 54' ' ' GLY . 2.3 m-85 -80.88 174.41 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' PHE . . . 52.82 171.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -43.17 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.32 80.5 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.47 152.34 28.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.76 ' CG1' HD23 ' A' ' 50' ' ' LEU . 47.3 t 57.78 163.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 4' ' ' VAL . 0.3 OUTLIER 178.21 131.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.753 ' CG1' HD22 ' A' ' 50' ' ' LEU . 4.1 m -98.06 111.06 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.35 131.47 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.66 36.17 3.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 108.354 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.48 -16.63 34.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.49 22.31 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -150.75 89.13 4.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.7 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.08 160.89 39.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -17.22 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.23 -55.04 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -72.19 60.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.28 78.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 18' ' ' LEU . 3.5 t -117.82 -126.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' N ' HG23 ' A' ' 17' ' ' THR . 0.4 OUTLIER -39.8 -29.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.7 mp0 -64.82 96.04 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.53 120.48 39.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.92 108.21 9.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.32 33.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.421 1.748 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.852 HD12 HD13 ' A' ' 50' ' ' LEU . 1.8 pt? -158.68 165.01 35.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.376 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 50' ' ' LEU . 1.9 t -122.0 147.78 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 108.256 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.48 163.77 14.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -62.35 -18.11 60.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 0.811 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 20.3 p-10 -88.78 -5.67 57.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.6 t-20 82.89 37.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 43.7 mttt -97.89 132.27 43.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -96.17 108.18 20.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' OH ' HD21 ' A' ' 48' ' ' LEU . 32.2 m-85 -102.32 156.36 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -100.08 -28.75 7.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 17.4 m-20 -141.78 157.68 44.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' HD13 ' A' ' 23' ' ' LEU . 26.0 mmtt -64.28 -27.45 69.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.51 -46.34 80.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 108.295 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -63.35 -36.79 84.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 21.0 t80 -65.82 -50.4 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.72 -28.87 70.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -62.96 -44.69 95.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.208 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.91 -41.2 64.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.473 HG21 ' CE1' ' A' ' 37' ' ' PHE . 4.1 t -55.75 -44.61 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -38.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -76.18 -20.31 57.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 13.8 9.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.62 6.14 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.53 15.64 59.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.7 m -84.86 -56.16 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.67 HD21 ' OH ' ' A' ' 31' ' ' TYR . 4.3 tp -39.9 136.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.1 p -120.21 179.39 4.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.189 . . . . 0.0 110.427 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD13 HD12 ' A' ' 23' ' ' LEU . 11.1 tp -99.58 115.37 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -47.36 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 56' ' ' CYS . 25.1 p80 -171.7 174.72 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -85.99 174.59 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 54.5 169.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.54 131.89 7.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.65 69.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 5' ' ' SER . 7.2 p -108.1 165.43 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.494 ' N ' HG22 ' A' ' 4' ' ' VAL . 3.0 t -179.64 135.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.467 HG13 HD22 ' A' ' 50' ' ' LEU . 27.0 m -101.35 122.94 54.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.23 115.59 22.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.02 28.75 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -94.65 -24.59 17.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 mm-40 -131.08 60.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -167.16 86.02 0.81 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.954 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 158.65 41.9 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -18.48 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.86 13.86 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -125.16 70.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER 174.65 109.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 108.348 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.8 m -133.23 -126.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -39.44 -34.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -65.71 111.69 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.52 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -125.88 110.65 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.08 147.16 33.26 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' CD ' ' A' ' 34' ' ' LYS . 1.4 mp -140.28 167.17 22.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' SG ' ' CE1' ' A' ' 52' ' ' HIS . 41.8 t -122.69 142.38 50.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -107.51 157.67 15.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.455 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 2.0 t -58.46 -29.62 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -86.75 12.42 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 t30 72.85 35.5 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -85.8 149.69 25.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -118.51 103.98 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 31.3 m-85 -91.52 162.23 14.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 1.058 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.95 -23.3 6.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -152.28 170.77 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.82 ' CD ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.45 -34.46 58.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.65 -45.87 81.34 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.459 1.099 . . . . 0.0 108.342 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -35.85 81.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -64.43 -52.67 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.2 -31.36 72.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.25 -44.55 96.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.71 64.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.799 HG21 ' CE1' ' A' ' 37' ' ' PHE . 39.8 t -63.96 -43.78 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.27 -38.68 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.44 -11.99 59.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -94.27 7.72 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.5 6.05 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.72 15.63 56.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m -81.32 -52.12 7.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 10.0 tp -49.26 146.32 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' A' ' 26' ' ' SER . 17.1 p -132.57 177.7 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -106.33 107.48 18.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -41.52 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 43.2 p-80 -173.67 -175.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.634 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 3.6 m-85 -86.97 -174.3 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CA ' ' A' ' 23' ' ' LEU . . . 59.01 -150.03 37.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.1 154.15 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.296 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.6 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 1' ' ' LEU . . . 173.24 50.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' ALA . . . 175.07 178.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.549 HG22 ' H ' ' A' ' 5' ' ' SER . 6.9 p -154.39 172.35 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.549 ' H ' HG22 ' A' ' 4' ' ' VAL . 17.0 m -159.37 167.89 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.693 ' CG2' HD22 ' A' ' 50' ' ' LEU . 53.8 t -130.25 133.98 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.63 129.05 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -83.45 -3.42 57.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.19 -30.28 57.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -92.54 -34.69 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.01 92.17 25.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.99 152.48 40.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.818 . . . . 0.0 111.071 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -17.76 19.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.77 13.17 16.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -128.43 84.73 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 178.17 113.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 108.246 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -138.08 -139.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.62 -31.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -65.96 103.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.83 133.03 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -143.46 115.65 5.82 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 146.58 32.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.902 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.74 166.45 24.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.6 t -120.88 147.65 45.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 108.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.58 163.21 12.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -63.88 -23.27 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' OD1' HD21 ' A' ' 48' ' ' LEU . 19.9 p-10 -86.29 4.09 40.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 73.79 40.74 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -101.76 152.64 20.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 m -112.82 103.85 11.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 64.6 m-85 -85.32 166.76 16.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -114.54 -19.08 6.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.579 1.174 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -159.57 173.06 16.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -34.46 71.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.6 m -63.24 -46.03 88.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 108.346 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -63.02 -37.67 88.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 41' ' ' VAL . 64.8 t80 -63.77 -54.42 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.657 ' O ' HG23 ' A' ' 42' ' ' VAL . 31.7 t -63.22 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.76 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.77 -33.51 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 37' ' ' PHE . 44.6 t -58.81 -48.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 38' ' ' CYS . 86.5 t -59.04 -41.96 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.54 -18.47 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -96.24 21.83 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 0.0 110.043 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' HB2' HG23 ' A' ' 47' ' ' THR . 2.7 m120 72.07 5.47 5.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 80.22 18.47 71.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 45' ' ' ASN . 74.5 p -93.09 -45.62 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 0.809 . . . . 0.0 110.378 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' HB2' ' CB ' ' A' ' 44' ' ' SER . 5.7 tp -40.17 147.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -130.69 -179.86 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' HB3' ' A' ' 23' ' ' LEU . 5.3 tp -100.08 107.59 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -44.07 85.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 26.7 p80 -176.01 -176.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 3.7 m-85 -89.06 176.21 7.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' PRO . . . 65.74 -147.78 50.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 56' ' ' CYS . 0.6 OUTLIER -101.39 144.86 29.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.484 HD13 ' HB ' ' A' ' 49' ' ' THR . 5.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.31 63.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 109.378 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.08 39.7 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 49' ' ' THR . 36.2 t 58.15 164.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.524 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -130.21 58.3 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG21 ' CE1' ' A' ' 37' ' ' PHE . 84.4 t -132.02 135.04 59.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -105.13 102.5 11.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.7 t -112.6 19.51 17.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.67 -18.88 20.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -116.58 -6.84 11.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.9 87.79 43.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.97 159.37 41.53 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -18.16 31.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -92.94 16.71 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -147.01 94.36 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -167.26 105.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 108.224 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' GLU . 2.9 m -131.09 -133.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' THR . 4.1 mp0 -65.68 97.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 2.3 t80 -112.05 126.69 55.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 20' ' ' TYR . 2.7 mmm180 -143.37 107.99 5.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.941 ' O ' HD13 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -74.95 139.52 24.52 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -127.82 157.43 40.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 50' ' ' LEU . 37.9 t -126.26 110.08 13.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 49' ' ' THR . . . -77.0 146.97 32.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.577 1.173 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' OG1' ' A' ' 49' ' ' THR . 0.2 OUTLIER -71.17 -12.77 61.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.677 ' OD1' HD21 ' A' ' 48' ' ' LEU . 18.2 p-10 -84.24 0.82 47.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.9 t-20 83.94 43.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -119.31 149.51 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -116.27 134.69 54.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.464 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 42.6 m-85 -124.91 160.73 28.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -112.18 -25.68 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.48 167.3 22.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -68.73 -27.69 66.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.4 m -70.43 -36.23 73.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.334 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -67.38 -44.55 78.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.779 ' CE2' HD13 ' A' ' 50' ' ' LEU . 6.9 t80 -67.72 -42.98 81.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.896 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 t -68.18 -28.21 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 108.315 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -62.91 -45.4 92.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -73.21 -36.87 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 48' ' ' LEU . 30.5 t -55.83 -48.29 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 38' ' ' CYS . 25.8 t -63.33 -37.79 80.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.26 -17.04 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ALA . 2.0 m -97.98 12.82 32.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.68 10.29 7.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 41' ' ' VAL . . . 89.57 16.83 56.25 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' LEU . 57.3 m -87.61 -29.89 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 0.797 . . . . 0.0 110.328 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.716 ' HB3' HG22 ' A' ' 41' ' ' VAL . 2.8 tm? -38.86 136.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.67 ' HA ' HG22 ' A' ' 4' ' ' VAL . 27.7 p -110.51 168.48 9.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD13 ' CE2' ' A' ' 37' ' ' PHE . 48.5 tp -123.49 101.11 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -37.46 87.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' PHE . 17.6 p80 -175.6 179.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 5.0 m-85 -90.42 175.3 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 69.11 -158.71 53.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -87.68 154.09 20.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 108.379 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.26 120.28 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -169.33 67.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.492 HG22 HD23 ' A' ' 50' ' ' LEU . 1.9 p -61.2 149.84 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p -147.68 153.83 39.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.932 HG23 HD22 ' A' ' 50' ' ' LEU . 5.4 t -98.21 139.58 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.85 128.63 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.23 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.334 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.2 t -94.1 -23.62 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -126.04 45.88 2.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.402 1.063 . . . . 0.0 110.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -170.52 88.1 0.51 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.55 ' HD2' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 153.62 41.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.552 1.817 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -59.41 -19.14 44.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.33 10.21 17.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . . . -135.72 85.85 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.01 105.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' LEU . 24.7 m -138.82 -119.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -39.21 -36.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.8 pm0 -65.57 104.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.41 125.24 51.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -139.75 112.29 7.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 147.5 33.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.773 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 50' ' ' LEU . 2.0 pt? -159.87 145.95 15.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 50' ' ' LEU . 45.6 t -102.18 141.09 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 108.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.35 169.5 26.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB2' ' OG1' ' A' ' 49' ' ' THR . 13.1 t -62.88 -24.65 67.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.673 ' CG ' HD11 ' A' ' 48' ' ' LEU . 18.7 p-10 -85.49 -0.79 55.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 8.2 t30 78.72 33.44 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.381 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 3.2 tttp -91.03 134.73 34.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m -95.49 104.0 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 62.4 m-85 -97.8 154.6 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.04 -28.12 8.92 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 13.1 t-20 -146.3 167.51 23.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -26.75 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -65.3 -45.53 84.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.246 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ASN . 2.1 t-20 -69.01 -34.68 75.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.604 ' CE1' HG21 ' A' ' 41' ' ' VAL . 3.9 t80 -64.41 -50.72 66.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 t -63.59 -32.54 74.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 108.286 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.2 t30 -61.73 -43.72 98.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.02 -39.29 66.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG21 ' CE1' ' A' ' 37' ' ' PHE . 3.0 t -55.66 -42.59 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -59.66 -36.52 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -19.68 62.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 48' ' ' LEU . 1.6 m -95.43 24.87 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.483 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.7 OUTLIER 67.75 10.85 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.32 17.95 78.72 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.953 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.483 HG23 ' HB3' ' A' ' 45' ' ' ASN . 70.3 p -90.47 -47.47 7.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD11 ' CG ' ' A' ' 27' ' ' ASP . 3.4 tp -39.87 150.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 26' ' ' SER . 1.0 OUTLIER -126.49 -169.0 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.932 HD22 HG23 ' A' ' 6' ' ' VAL . 3.7 tp -110.54 111.84 23.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 24' ' ' CYS . 77.6 p -61.25 -67.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.31 168.76 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.512 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -75.01 172.03 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.37 -177.62 3.38 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -68.1 145.87 54.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.364 -179.991 . . . . . . . . 1 1 . 1 stop_ save_