data_1uht_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 1uht _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 ' 10' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 8.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.99 27.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -63.27 147.75 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 42.9 tp -91.8 114.76 27.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -113.55 103.38 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.24 111.25 20.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.7 124.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.0 m-85 -82.21 88.83 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -74.78 -32.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.63 -178.39 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -172.28 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.4 20.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.54 3.37 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -39.33 115.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.29 1.75 24.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.51 162.94 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.85 141.35 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.23 169.8 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.62 134.58 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.09 162.9 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -84.12 163.76 46.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.4 Cg_endo -74.96 130.38 13.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.58 19.29 38.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.12 107.35 15.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 m -60.94 129.58 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mt -116.53 96.18 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.64 106.25 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 47.8 t -93.95 119.11 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.14 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -101.12 -43.29 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.89 138.53 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.51 127.94 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.2 mt -120.37 129.32 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.69 65.03 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -108.95 4.57 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 72.11 -60.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.76 -24.69 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -92.28 139.54 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.05 159.16 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 p -38.7 -58.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 2.9 t-160 -71.16 -65.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -153.18 170.33 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -132.31 143.22 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 13' ' ' LEU . 50.1 mt -106.77 135.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.94 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.349 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 163.49 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -127.03 95.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.12 -81.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.24 42.16 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -153.69 168.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 96.3 m95 -112.4 141.52 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.56 154.94 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.0 145.52 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -139.74 125.28 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' GLY . 37.9 t0 -84.3 106.26 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -69.97 60.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.53 50.27 1.0 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 79.6 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 83' ' ' ASN . 34.7 mt -116.98 143.05 46.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 82' ' ' SER . 24.0 tp -127.08 104.92 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 66.0 m-80 66.64 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.4 t -162.3 47.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -158.67 136.3 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.78 122.82 28.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 mt -70.24 170.85 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.68 154.52 81.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.12 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.553 1.818 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.57 19.39 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 m -140.51 141.39 35.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.408 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 82.8 p -122.19 131.49 53.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.66 157.22 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -98.33 126.01 43.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.84 161.77 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -139.97 -167.53 11.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 104.65 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.17 27.13 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.22 124.62 34.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -94.61 127.06 46.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 109' ' ' VAL . 30.4 mt -108.68 106.99 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -99.13 105.57 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -125.57 167.6 14.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.7 -131.57 26.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -100.75 -63.49 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -133.27 48.94 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 m -114.67 121.29 42.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 m -122.9 135.2 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.3 mt -122.73 132.13 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.7 tp -100.17 134.26 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 99' ' ' ILE . 75.6 t -98.55 120.74 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.56 130.63 49.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.448 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 14.3 m-85 -91.83 106.6 18.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.06 29.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -64.07 148.99 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 67' ' ' TRP . 27.2 tp -91.88 113.21 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -112.24 102.75 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 46' ' ' ILE . 80.2 mt -89.52 109.5 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.36 132.27 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.54 87.09 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.25 -34.09 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 14.3 mttt -135.72 -177.26 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 95.27 -171.95 30.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.63 18.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -104.41 15.65 27.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.12 115.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.75 0.05 23.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.31 165.13 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.21 151.98 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -131.62 172.22 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.11 135.93 20.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 35' ' ' ILE . 97.4 m-85 -139.71 153.66 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.31 164.27 60.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.5 Cg_endo -74.99 130.32 13.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.31 6.66 56.57 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.99 106.21 16.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.1 m -61.7 129.65 42.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.7 mp -114.54 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 118.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 32.8 t -103.54 118.32 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.01 -155.29 6.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -109.32 -24.58 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 15' ' ' LEU . 64.7 mt -93.4 137.43 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -132.31 127.95 36.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.512 ' CG2' ' CD1' ' A' ' 53' ' ' ILE . 5.4 mt -119.67 131.81 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.1 65.71 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 6.3 t0 -109.76 -6.85 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.44 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -26.14 24.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.512 ' CD1' ' CG2' ' A' ' 48' ' ' ILE . 5.7 mt -92.37 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.2 160.05 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -40.59 -60.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 71.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 4.3 t60 -75.52 -65.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -153.87 170.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -136.7 144.05 43.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 13' ' ' LEU . 13.0 mt -108.01 140.83 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.31 167.88 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.78 143.96 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -144.22 154.62 43.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.56 61.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 42.4 42.67 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -149.72 168.56 23.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 13' ' ' LEU . 98.0 m95 -109.38 147.14 33.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.33 147.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.0 142.09 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -142.11 121.56 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -90.91 114.53 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.25 56.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.2 50.37 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.408 ' CG2' HD21 ' A' ' 58' ' ' LEU . 6.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 84' ' ' ALA . 12.5 mt -111.68 148.47 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' SER . 46.9 tp -126.57 112.3 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 60.98 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 20.2 m -148.65 64.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t30 179.56 147.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.501 ' CB ' HD21 ' A' ' 79' ' ' LEU . . . -87.9 133.98 33.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 48.5 mt -71.94 -175.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -143.93 140.04 16.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.44 12.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -100.9 29.24 4.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.9 m -156.99 152.63 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -125.41 127.78 47.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.5 t -109.21 157.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -95.93 122.65 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.95 157.84 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.32 156.51 26.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 123.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.64 23.5 36.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.94 122.53 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -90.49 130.39 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.46 HD11 ' CG2' ' A' ' 109' ' ' VAL . 22.9 mt -109.4 109.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -97.6 105.71 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -125.29 170.16 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.47 -109.57 2.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -119.78 -68.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -114.95 -28.33 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.459 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 2.1 m -38.32 131.08 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 41.7 m -134.79 134.47 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.435 HG23 ' CD2' ' A' ' 15' ' ' LEU . 33.4 mt -119.84 134.09 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 110' ' ' ASN . 1.2 tt -102.62 138.43 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 99' ' ' ILE . 75.0 t -102.24 119.03 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -128.84 128.46 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -91.1 113.94 26.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 22.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.72 29.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -66.02 147.75 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 48.3 tp -91.79 114.98 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -113.82 99.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 46' ' ' ILE . 77.8 mt -82.91 111.26 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -99.71 124.98 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 15.2 m-85 -83.68 88.49 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -73.87 -33.25 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.6 -170.23 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.31 -170.52 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.27 15.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -93.19 3.43 55.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.02 114.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.66 1.46 29.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.94 159.67 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.98 132.78 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 46' ' ' ILE . 1.4 mt -116.83 170.24 8.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -148.46 133.81 18.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.99 159.46 41.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 164.28 55.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CB ' ' HB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 130.28 13.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.71 16.84 43.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.24 110.8 20.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.2 m -63.96 125.91 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.3 mt -112.35 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -76.58 111.96 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 37.8 t -100.48 110.85 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.73 -151.95 7.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -105.88 -32.39 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG12 ' CB ' ' A' ' 55' ' ' THR . 23.8 pt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' CD1' HD13 ' A' ' 15' ' ' LEU . 63.4 mt -93.99 137.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.67 127.31 34.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 HG23 ' CD1' ' A' ' 53' ' ' ILE . 5.9 mt -118.6 123.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -91.98 62.74 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 4.1 t70 -105.7 -8.14 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.89 -52.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.99 -17.9 10.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 48' ' ' ILE . 6.3 mt -100.69 138.19 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -100.01 159.92 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' CB ' HG12 ' A' ' 40' ' ' ILE . 16.4 p -44.27 -35.3 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -132.51 68.06 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.5 t60 -67.26 -66.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -150.06 170.81 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -133.79 138.39 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ILE . 74.8 mt -102.48 138.41 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -148.23 165.42 31.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.54 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 29.4 t -125.89 147.56 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.5 m-20 -156.89 160.65 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.57 53.98 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.5 37.69 6.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.8 m120 -148.07 165.19 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 93.8 m95 -106.88 148.5 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.15 151.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 tt -117.83 145.84 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -140.91 123.17 15.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' GLY . 12.3 t0 -84.84 106.94 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -69.91 61.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 37.08 45.75 1.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.634 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 96.1 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.402 HD21 ' C ' ' A' ' 83' ' ' ASN . 30.5 mt -134.03 130.75 37.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' CB ' HD23 ' A' ' 85' ' ' LEU . 49.9 tp -117.53 113.21 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 62.23 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -151.53 57.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.402 ' C ' HD21 ' A' ' 79' ' ' LEU . 1.8 t-20 -173.57 141.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.99 124.17 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' A' ' 80' ' ' LEU . 82.9 mt -65.79 176.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.98 148.69 65.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.05 23.81 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 m -153.13 140.79 19.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.12 129.7 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.2 158.64 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.67 131.27 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.08 156.81 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.77 149.07 20.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.94 125.04 25.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 0.801 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.95 3.03 58.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 153.62 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.32 109.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.74 110.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.53 105.82 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 107' ' ' ILE . 0.8 OUTLIER -125.27 164.14 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.93 -134.63 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.88 -66.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -128.67 49.87 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 m -117.39 122.39 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.5 m -123.33 133.67 54.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CD1' HD23 ' A' ' 101' ' ' LEU . 33.7 mt -120.52 135.51 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.3 tp -102.91 144.05 31.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.35 121.66 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.79 127.45 42.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.6 m-85 -93.68 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.42 36.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.04 147.75 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' CE3' ' A' ' 67' ' ' TRP . 46.7 tp -91.74 120.49 32.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -118.89 100.82 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 107' ' ' ILE . 72.8 mt -86.11 109.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.83 127.0 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.01 90.26 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.11 -30.63 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -136.06 -176.42 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.44 -172.25 39.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.16 19.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 4.22 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.33 115.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.52 -4.39 26.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.12 158.75 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.13 136.62 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -121.56 168.72 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' TYR . 44.0 t0 -146.07 141.12 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 98.2 m-85 -141.78 163.06 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 162.33 56.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.01 128.13 11.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.67 9.35 46.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.4 106.07 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.736 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 m -61.23 120.82 11.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.2 mt -106.8 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLU . 24.5 mtp180 -75.94 112.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.5 t -98.29 121.0 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.66 -154.98 6.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -107.99 -32.07 7.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.596 ' CD1' ' CG2' ' A' ' 55' ' ' THR . 42.2 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ARG . 33.3 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -91.95 131.75 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.17 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -114.82 137.19 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 53.07 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 14.2 t0 -103.83 -17.59 14.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.58 -51.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.01 -24.89 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 101' ' ' LEU . 6.2 mt -97.16 145.05 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.84 156.83 17.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.596 ' CG2' ' CD1' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -39.75 -53.78 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.44 171.72 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.426 ' N ' HD21 ' A' ' 72' ' ' LEU . 7.6 ptt180 -135.58 143.19 45.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' A' ' 13' ' ' LEU . 87.3 mt -104.73 138.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 165.18 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.4 t -126.66 141.66 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.5 161.55 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.01 52.78 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.46 44.79 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -153.13 168.75 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.544 ' CE3' HD23 ' A' ' 13' ' ' LEU . 96.8 m95 -109.09 144.61 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.21 152.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.32 143.72 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -142.29 127.23 18.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.95 113.33 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -74.83 57.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.31 65.93 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.4 ' CG2' HD22 ' A' ' 58' ' ' LEU . 5.5 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 83' ' ' ASN . 44.4 mt -117.73 141.19 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 21.1 tp -126.93 105.46 8.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.42 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 59.5 m-80 67.31 -68.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -164.61 54.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.6 t-20 -167.67 135.29 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.3 120.15 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD21 ' CB ' ' A' ' 80' ' ' LEU . 52.2 mt -66.01 171.87 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.4 152.85 81.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.23 2.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.22 24.25 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.8 m -144.63 142.55 30.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.411 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 80.4 p -126.34 130.71 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.42 152.37 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -89.58 121.02 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 mt -55.23 160.81 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.15 149.57 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.409 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -63.76 114.48 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.42 13.63 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.11 125.48 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.65 125.21 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.448 HD13 ' CG2' ' A' ' 109' ' ' VAL . 18.4 mt -107.78 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -99.6 106.1 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.12 163.69 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.66 -126.13 10.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.53 -68.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -128.71 53.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 m -120.68 121.16 37.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.1 m -122.36 135.24 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 15' ' ' LEU . 21.7 mt -122.08 134.1 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tp -100.59 140.2 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.448 ' CG2' HD13 ' A' ' 99' ' ' ILE . 65.9 t -105.01 119.78 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.95 131.18 53.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 11.9 m-85 -93.14 107.76 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 94.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.38 36.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -64.57 148.18 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD23 ' CE3' ' A' ' 67' ' ' TRP . 56.6 tp -91.34 115.59 28.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -113.43 102.7 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' HG22 ' A' ' 107' ' ' ILE . 71.9 mt -87.13 111.95 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.72 124.57 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' CE1' HD11 ' A' ' 48' ' ' ILE . 6.3 m-85 -81.45 83.96 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.51 -33.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.0 mttm -136.77 179.13 6.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.48 -172.97 24.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -15.43 20.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -109.5 16.81 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -48.21 118.5 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.27 5.59 22.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.55 163.18 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.89 132.18 10.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.62 169.34 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.92 145.61 27.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -147.19 166.72 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 162.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 129.16 12.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.15 13.28 53.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.84 108.8 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -62.59 119.78 9.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.4 mt -107.1 94.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -76.55 114.86 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 15.1 t -103.47 129.11 55.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.11 -146.18 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.31 -41.7 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' ARG . 67.6 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 15' ' ' LEU . 81.0 mt -95.45 140.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.14 146.1 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 ' CG2' ' CD1' ' A' ' 53' ' ' ILE . 27.1 mt -136.56 119.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -88.2 68.83 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -119.19 -3.05 10.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 80.72 -60.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.85 -28.75 0.15 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' N ' ' C ' ' A' ' 51' ' ' ALA . 3.2 mt -93.79 140.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.812 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -108.66 162.26 14.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 p -38.43 -64.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 70.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 3.0 t-160 -69.25 -63.73 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -155.73 171.9 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -134.88 141.36 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 13' ' ' LEU . 89.8 mt -105.69 139.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 166.96 30.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -124.62 140.94 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.1 160.59 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.08 56.14 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.35 44.49 7.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -154.97 167.68 29.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' HD23 ' A' ' 13' ' ' LEU . 95.9 m95 -105.71 147.03 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.11 156.39 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.63 144.07 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -142.21 126.27 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 110.58 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -74.65 57.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.99 55.97 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 4.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD21 ' C ' ' A' ' 83' ' ' ASN . 19.1 mt -109.7 143.64 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 82' ' ' SER . 26.7 tp -127.25 107.44 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.8 m-80 63.79 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -156.33 47.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -159.29 138.08 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 124.54 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.43 170.27 15.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.44 150.93 75.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.64 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.54 1.81 . . . . 0.0 111.043 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.52 33.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -157.4 146.65 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.8 p -119.66 130.38 55.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.4 t -112.9 149.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -90.75 123.44 34.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.5 mt -65.93 171.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.33 152.15 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 27.3 t0 -63.02 106.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.98 16.59 9.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.45 120.89 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.74 117.88 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.456 HD13 ' CG2' ' A' ' 109' ' ' VAL . 18.7 mt -97.74 109.85 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -100.23 104.86 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.06 171.26 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.77 -129.56 33.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -105.34 -62.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.89 47.94 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.8 m -114.89 121.74 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 14.9 m -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.436 HG22 ' CD2' ' A' ' 15' ' ' LEU . 14.3 mt -125.55 132.17 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.9 142.31 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 99' ' ' ILE . 77.7 t -106.64 117.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.56 130.24 51.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 19.8 m-85 -92.82 106.33 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 22.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.11 34.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 149.36 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.556 HD22 ' CE3' ' A' ' 67' ' ' TRP . 50.8 tp -91.62 115.91 28.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.401 ' NH2' HG21 ' A' ' 112' ' ' VAL . 10.2 ttp180 -114.1 104.43 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 107' ' ' ILE . 79.2 mt -90.46 108.57 19.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.05 124.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -82.22 89.3 6.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.59 -29.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.4 mttm -138.94 177.04 8.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.76 -170.2 25.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.24 4.17 48.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -39.92 114.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.85 -1.21 25.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.23 158.7 16.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.87 146.53 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -130.92 172.65 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.1 145.42 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CE1' HD13 ' A' ' 46' ' ' ILE . 79.4 m-85 -146.34 157.58 43.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -78.5 162.44 65.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 131.36 14.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.66 15.44 40.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.37 105.44 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -60.94 129.14 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mt -114.72 103.7 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -82.29 109.71 16.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 56.3 t -96.41 118.34 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.97 -149.81 5.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -106.13 -22.17 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 29' ' ' TYR . 35.2 mt -131.45 138.91 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.86 138.83 50.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.422 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 10.8 mt -115.75 141.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 65.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 2.5 t70 -114.84 -10.33 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 82.43 -52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.57 -20.2 5.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 8.0 mt -95.31 142.78 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.37 154.91 20.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.7 p -39.37 -47.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 69.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -71.61 -65.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -150.75 171.83 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' N ' HD22 ' A' ' 72' ' ' LEU . 15.6 ptt180 -133.51 140.67 47.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 13' ' ' LEU . 13.2 mt -108.06 143.41 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -153.58 170.21 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.363 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 1.2 t -128.13 156.39 42.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.99 157.85 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.18 51.29 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.81 43.15 38.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -150.49 167.44 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CE3' HD22 ' A' ' 13' ' ' LEU . 94.2 m95 -111.28 143.32 42.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.04 145.09 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.4 148.15 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 89' ' ' THR . 2.7 tt0 -142.63 133.53 25.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.29 112.99 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -73.41 58.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.08 47.45 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 73.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.95 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 83' ' ' ASN . 46.7 mt -124.94 140.75 52.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' SER . 19.8 tp -125.1 103.93 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.7 m-80 66.94 -69.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -162.69 58.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' C ' HD21 ' A' ' 79' ' ' LEU . 4.8 t30 -173.99 133.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.17 120.66 21.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.19 174.08 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.86 150.74 69.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -62.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.78 -28.4 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 2.7 m -96.46 148.82 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.6 p -125.35 142.03 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.65 156.8 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.49 124.44 38.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.53 156.53 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.65 151.33 22.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -65.63 110.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.94 12.89 26.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.82 122.16 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 t -91.65 124.25 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.94 110.21 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -99.79 105.77 17.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.3 166.78 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.58 -136.96 39.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -91.94 -76.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -122.56 55.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -118.56 126.21 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 17.4 m -127.55 133.12 49.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 15' ' ' LEU . 36.6 mt -119.44 140.45 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 tp -109.45 125.36 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 75.8 t -89.94 120.27 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.69 52.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.8 m-85 -99.66 106.92 18.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.401 HG21 ' NH2' ' A' ' 14' ' ' ARG . 10.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 88.2 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.97 42.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -72.91 145.3 46.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -92.02 110.53 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' NH2' HG22 ' A' ' 112' ' ' VAL . 24.8 ttp180 -107.51 112.41 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' HG22 ' A' ' 107' ' ' ILE . 77.9 mt -92.36 107.85 19.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.98 125.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 84.0 m-85 -83.29 90.28 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -74.12 -27.52 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -138.4 -174.06 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -171.05 41.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.2 Cg_endo -74.98 -23.61 13.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 1.4 mtt180 -93.2 6.47 47.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.72 116.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.15 -5.04 26.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.08 157.98 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.61 134.55 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.35 170.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -147.27 141.06 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -138.48 167.02 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -86.65 163.1 42.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 124.7 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.76 11.71 36.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -110.32 120.31 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.9 m -74.77 132.62 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.72 96.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.43 121.23 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 27.4 t -109.94 120.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.27 -149.9 5.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 49' ' ' LYS . 1.1 ttt180 -102.05 -43.57 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 18.6 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 15' ' ' LEU . 58.4 mt -97.67 142.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 40' ' ' ILE . . . -153.25 119.28 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 21' ' ' PRO . 1.7 mt -106.05 121.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 12.3 mmmm -85.28 62.15 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 12.6 t0 -102.2 1.13 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 78.27 -59.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.34 -25.49 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -94.35 153.09 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -116.8 155.64 28.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 22.0 p -36.79 -57.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 73.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -75.41 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -156.04 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -137.0 140.32 42.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.0 mt -105.27 139.15 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 178.45 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 3.1 t -139.32 139.06 37.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.49 -153.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -39.0 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.7 46.26 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -153.99 166.21 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 81.9 m95 -112.87 146.78 38.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.02 152.49 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.78 143.68 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.34 126.03 22.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 73' ' ' GLY . 44.2 t0 -83.62 105.94 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.92 60.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.82 58.87 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 10.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.434 ' CG2' HD21 ' A' ' 58' ' ' LEU . 39.7 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 mt -113.26 140.9 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' SER . 27.6 tp -127.26 106.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.2 m-80 62.86 -76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -153.6 61.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -175.43 138.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.05 120.4 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.54 170.32 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.6 153.97 81.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -38.3 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -91.83 34.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -155.61 145.55 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 96.2 p -124.6 126.37 45.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.18 144.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.1 116.73 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.84 162.92 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -149.0 153.77 25.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.8 OUTLIER -70.04 106.08 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.1 17.05 7.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -91.75 141.75 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.61 119.15 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.433 HD12 ' CG2' ' A' ' 109' ' ' VAL . 18.8 mt -100.31 105.33 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -96.01 105.5 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.22 161.74 26.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.29 -134.02 18.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.51 -64.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -137.34 49.3 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -113.45 115.96 28.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.2 m -116.08 134.96 54.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.432 HG22 ' CD2' ' A' ' 15' ' ' LEU . 23.3 mt -120.6 131.37 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.56 143.9 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.433 ' CG2' HD12 ' A' ' 99' ' ' ILE . 65.1 t -109.6 113.49 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.01 133.35 54.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.4 m-85 -92.1 106.86 18.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.421 HG22 ' NH2' ' A' ' 14' ' ' ARG . 25.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.95 139.22 24.16 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.645 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -57.75 154.51 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 17.8 tp -91.18 110.6 21.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.82 99.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.69 114.18 25.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.12 125.0 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 18.4 m-85 -83.44 90.1 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 m -76.14 -31.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 15.1 mttt -134.48 -175.16 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 87.81 -172.82 42.77 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.45 20.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.764 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.3 mtp85 -98.04 3.18 49.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 117.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.13 1.34 33.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.13 158.72 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.04 138.56 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.79 168.35 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.89 137.56 22.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' O ' ' OG ' ' A' ' 12' ' ' SER . 98.7 m-85 -138.55 151.62 47.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -69.51 162.78 64.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.529 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.02 132.43 15.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.62 8.16 61.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 116.68 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.6 m -68.1 118.35 11.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mt -103.57 94.73 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -79.55 105.22 10.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 45.3 t -96.2 125.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.42 -155.04 6.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -41.87 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 55' ' ' THR . 3.9 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mt -138.84 142.21 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 117.4 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 4.6 mt -108.81 122.3 63.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -90.37 68.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 6.1 t70 -109.55 -4.7 16.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 82.27 -58.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -23.42 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 13.7 mt -93.48 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 166.53 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 40' ' ' ILE . 55.6 p -45.54 -56.94 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -112.47 67.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.2 t-160 -65.31 -67.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -147.93 172.62 13.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -135.41 129.07 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.33 137.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.78 168.15 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.01 171.92 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.27 89.85 2.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.35 -72.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 34.51 1.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.15 165.24 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.57 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 97.3 m95 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.87 155.37 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -126.49 147.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -140.35 128.05 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -85.73 105.36 16.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -72.4 57.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.21 50.42 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 88.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.65 133.04 56.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' SER . 29.5 tp -117.96 109.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 60.39 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 4.7 t -144.85 61.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -179.34 142.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.45 123.75 28.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.47 -176.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.88 144.24 31.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.54 2.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 89' ' ' THR . 36.5 mt-10 -90.99 34.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 88' ' ' GLU . 67.7 m -158.13 146.95 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.6 p -123.26 122.62 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.89 148.98 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -89.68 114.24 25.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.41 147.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -120.93 -167.57 13.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.43 121.93 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.04 30.56 46.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.37 120.26 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.8 120.94 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 109' ' ' VAL . 33.6 mt -103.94 109.59 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -98.65 104.87 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.02 161.82 26.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.62 -140.74 32.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.597 1.186 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -92.88 -69.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLY . 96.6 m-85 -124.85 46.83 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -115.52 123.11 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 16.5 m -127.59 134.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.6 mt -118.38 140.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -108.73 131.19 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.474 ' CG2' HD13 ' A' ' 99' ' ' ILE . 58.6 t -97.64 116.96 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.02 121.54 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.479 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 11.4 m-85 -83.4 108.21 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 24.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 13.6 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.16 26.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.637 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.71 154.14 15.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' CZ3' ' A' ' 67' ' ' TRP . 17.7 tp -91.11 110.58 21.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.068 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -105.42 98.84 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 46' ' ' ILE . 78.9 mt -86.8 109.91 19.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 57.9 t -99.67 125.99 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 5.7 m-85 -85.02 88.03 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -75.07 -27.49 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -141.93 173.75 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.61 -171.51 23.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.6 20.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.13 6.84 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.22 117.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.224 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 5.79 33.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.41 161.22 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.06 126.59 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.23 170.52 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -148.73 134.62 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -135.23 148.79 49.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -70.71 164.52 54.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 137.23 21.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 15.78 63.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.14 104.32 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 m -61.25 122.96 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.2 mt -107.24 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 104.97 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.1 t -92.49 118.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.05 -153.12 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.436 1.085 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -109.62 -36.14 6.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 55' ' ' THR . 4.6 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 15' ' ' LEU . 68.3 mt -137.89 139.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.42 120.3 19.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 53' ' ' ILE . 8.0 mt -110.53 132.6 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 71.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.2 t70 -120.92 -1.69 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 79.0 -58.11 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.06 -24.93 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 48' ' ' ILE . 6.1 mt -94.46 141.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.32 159.35 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.462 ' CB ' HG12 ' A' ' 40' ' ' ILE . 81.5 p -39.21 -60.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -107.68 68.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.493 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.2 t-160 -70.65 -66.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -152.96 170.86 19.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -134.98 143.13 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 13' ' ' LEU . 17.5 mt -109.16 139.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.42 160.72 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -116.97 141.18 48.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -110.3 -153.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.5 m -44.36 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 37.59 48.74 1.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -156.28 165.14 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.579 ' CZ3' HD22 ' A' ' 13' ' ' LEU . 95.1 m95 -114.15 145.24 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.74 152.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -124.47 147.03 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.27 127.11 18.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.88 110.45 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -76.77 54.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.48 68.11 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.493 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 28.9 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 83' ' ' ASN . 37.3 mt -107.7 140.47 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' SER . 16.6 tp -127.24 107.64 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.9 m-80 66.25 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.7 m -163.37 56.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 79' ' ' LEU . 1.3 t-20 -170.14 136.58 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.93 118.73 21.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 80' ' ' LEU . 39.8 mt -65.52 169.17 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.51 145.46 36.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.76 9.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.78 7.06 47.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.2 m -136.01 135.91 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.23 127.35 55.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.13 151.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 112.48 21.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 mt -50.17 164.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.82 154.56 25.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.93 114.17 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.94 16.02 24.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.91 125.12 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.58 123.92 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 109' ' ' VAL . 27.3 mt -104.11 106.53 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -97.02 104.97 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.06 161.57 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.86 -131.5 15.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -101.69 -64.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -131.34 49.02 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.2 m -116.96 118.61 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -121.4 133.75 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.7 mt -120.75 127.1 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.15 136.99 35.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 99' ' ' ILE . 77.7 t -101.01 121.2 51.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.07 122.83 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.44 111.42 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.637 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 20.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 19.8 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.58 42.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -74.43 147.05 42.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.593 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.67 110.62 21.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -112.37 108.92 18.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.81 115.43 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.63 124.82 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 56.3 m-85 -86.61 90.31 8.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -77.86 -30.16 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 1.9 mmtt -132.97 -169.54 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 79.42 -169.48 53.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -25.14 12.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 8.3 mtp180 -87.07 0.32 55.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -39.61 114.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.44 -3.62 29.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -102.24 156.3 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.51 150.92 28.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.41 168.74 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -148.26 143.09 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -141.43 162.76 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.49 166.17 36.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.97 130.6 13.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.97 19.01 32.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -117.56 111.83 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -67.47 132.42 47.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.97 94.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -75.66 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 90.9 t -93.81 120.02 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.42 -150.48 5.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -104.8 -22.12 13.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -139.53 144.45 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.45 149.18 51.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 53' ' ' ILE . 3.4 mt -134.97 119.83 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.93 69.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 61.2 t0 -114.98 -9.43 12.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 81.89 -57.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.48 -21.87 3.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 48' ' ' ILE . 9.5 mt -91.99 143.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.23 168.9 8.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -49.96 -52.19 35.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -115.57 62.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.0 t60 -60.79 -65.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -149.37 172.74 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -133.5 131.68 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.7 mt -104.97 132.02 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 168.41 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.524 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 6.1 t -128.2 135.35 49.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.83 162.43 38.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.89 52.87 7.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.18 41.81 8.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -153.51 169.51 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 82.1 m95 -111.81 141.49 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.41 158.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -123.8 146.13 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -141.96 124.31 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.3 t0 -83.57 105.58 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -69.67 60.63 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.17 46.1 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.1 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 58' ' ' LEU . 38.5 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 83' ' ' ASN . 31.1 mt -121.71 130.89 53.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' CB ' HD22 ' A' ' 85' ' ' LEU . 8.8 tp -123.25 104.51 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . 57.8 m-80 51.26 80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ASN . 1.6 m 37.51 48.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.42 ' C ' HD21 ' A' ' 79' ' ' LEU . 6.1 t30 -154.68 132.09 11.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.14 34.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 HD22 ' CB ' ' A' ' 80' ' ' LEU . 37.6 mt -75.27 -175.33 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 150.32 53.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.84 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -92.89 31.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.8 m -152.41 147.5 26.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.5 p -128.33 120.31 26.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.01 159.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -97.08 117.26 30.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.34 168.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.12 152.93 24.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.3 t70 -68.37 114.03 6.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 0.803 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.05 13.0 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -88.16 124.33 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.68 114.49 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 109' ' ' VAL . 28.4 mt -95.47 110.0 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.38 105.02 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.96 163.73 22.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.35 -140.17 33.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -81.9 -70.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.2 53.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.458 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -110.83 120.53 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 13.1 m -117.32 131.22 56.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.22 128.58 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tt -96.14 132.93 41.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 99' ' ' ILE . 44.1 t -95.32 115.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.71 134.02 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -96.54 111.89 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 3.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.19 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -63.04 144.94 56.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.76 110.58 21.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.2 116.17 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 46' ' ' ILE . 81.5 mt -99.04 109.56 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -100.95 126.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 18.8 m-85 -85.04 88.02 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.99 -31.52 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 23.0 mttt -134.31 -173.79 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.62 -170.99 41.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.67 15.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.01 4.87 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -41.26 114.63 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.95 0.51 24.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.58 160.89 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.49 137.42 14.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.54 167.91 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -148.91 147.44 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.9 175.03 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.15 164.4 18.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 126.14 9.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.5 9.48 43.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.15 119.11 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -73.76 129.61 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.51 95.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 5.1 mtm180 -78.76 109.1 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 t -95.76 118.85 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.37 -154.99 6.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -102.98 -32.19 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 15' ' ' LEU . 59.3 mt -99.61 139.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.22 135.72 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 53' ' ' ILE . 9.1 mt -125.2 116.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.8 71.81 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 4.0 t0 -120.59 -2.24 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 77.83 -55.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.3 -23.97 1.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.442 ' CD1' HG23 ' A' ' 48' ' ' ILE . 5.8 mt -96.8 139.91 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.55 161.32 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -42.17 -54.27 3.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 70.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.4 t-160 -72.55 -64.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -155.8 172.71 17.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -137.07 143.15 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.6 mt -104.38 134.4 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -141.41 167.32 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.405 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -123.83 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -109.72 -153.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.76 93.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 39.41 47.34 2.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -155.99 164.88 37.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.545 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 91.5 m95 -114.5 145.25 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.44 155.69 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.65 143.03 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -142.02 119.78 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -77.15 110.17 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -69.24 64.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 36.72 45.22 1.01 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 83' ' ' ASN . 53.5 mt -127.05 141.86 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' SER . 37.8 tp -126.77 103.41 7.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.4 m-80 66.37 -69.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -160.84 53.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' HD21 ' A' ' 79' ' ' LEU . 20.4 t-20 -165.19 138.69 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.39 122.22 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.94 161.07 16.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.57 158.54 64.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.06 -26.71 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.3 m -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.7 p -126.8 145.05 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.57 148.42 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -89.78 123.0 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.4 mt -56.18 174.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.64 154.75 25.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.69 116.18 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.05 12.84 38.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.17 121.9 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -92.41 123.12 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 109' ' ' VAL . 21.3 mt -104.51 106.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -99.49 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 167.81 14.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.78 -119.21 8.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -113.71 -69.28 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.285 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.36 49.18 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -115.9 124.38 50.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 16.9 m -123.29 138.41 54.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 15' ' ' LEU . 11.6 mt -125.04 128.3 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.481 HD22 ' ND2' ' A' ' 110' ' ' ASN . 1.0 OUTLIER -95.87 131.57 42.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 99' ' ' ILE . 48.6 t -97.84 116.64 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.481 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.05 135.28 53.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -98.71 106.94 19.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 18.7 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.09 42.42 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -72.68 141.31 48.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.079 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -91.69 110.66 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -111.5 117.0 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 76.9 mt -96.9 108.38 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -99.94 124.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 42.7 m-85 -83.66 89.58 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.35 -31.55 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -136.18 -172.65 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 85.69 -168.69 41.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.01 5.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 4.2 mtp85 -83.71 -0.08 49.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -39.23 117.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.01 -5.31 30.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.37 159.09 15.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.0 149.86 27.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -135.38 171.29 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 6.9 t70 -147.05 150.01 34.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 28' ' ' ASP . 38.5 m-85 -147.64 154.43 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 162.98 69.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.0 128.61 11.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.67 16.54 28.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.25 120.26 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -76.06 122.01 23.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.524 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.8 mp -104.48 105.42 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -86.01 104.06 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 53.4 t -91.88 123.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.31 7.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -97.2 -26.24 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.598 ' CD1' ' CG2' ' A' ' 55' ' ' THR . 40.7 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.1 mt -125.34 140.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.6 128.61 44.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 3.9 mt -115.14 127.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.56 69.85 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 29.0 t0 -112.76 -6.78 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 78.77 -57.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.36 -21.9 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 63.1 mt -89.98 142.45 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.65 157.72 17.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.598 ' CG2' ' CD1' ' A' ' 40' ' ' ILE . 1.2 m -42.01 -50.94 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 66.66 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.0 t-160 -68.64 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.643 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.69 172.14 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -131.48 146.13 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ILE . 73.7 mt -113.15 135.03 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.02 168.56 20.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.504 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -128.75 142.22 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -152.25 155.08 37.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.21 58.67 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.24 39.81 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -150.32 167.47 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 83.3 m95 -112.03 146.46 37.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.005 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.9 157.18 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 tt -128.1 144.87 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -142.32 125.39 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -83.34 109.39 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.55 59.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.5 48.54 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.9 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 83' ' ' ASN . 37.6 mt -118.87 139.97 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.8 tp -125.29 104.41 8.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 75.9 m-20 65.13 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -159.4 60.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' HD22 ' A' ' 79' ' ' LEU . 6.7 t30 -175.12 135.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.15 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.77 170.55 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.34 148.63 61.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.57 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -90.6 31.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 m -153.59 143.34 21.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.4 p -118.69 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.84 149.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.11 135.9 33.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.5 mt -77.3 171.18 15.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.2 155.6 26.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t70 -69.23 112.67 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.8 13.44 21.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -88.96 124.3 34.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.97 126.73 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.411 HD11 ' CG2' ' A' ' 109' ' ' VAL . 21.7 mt -108.01 106.35 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -96.04 105.33 17.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 164.17 21.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.98 -142.59 38.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -140.97 50.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 3.4 m -110.38 116.73 31.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.9 m -115.86 134.35 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.407 HG21 ' CD2' ' A' ' 15' ' ' LEU . 43.0 mt -120.84 135.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.73 138.66 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.411 ' CG2' HD11 ' A' ' 99' ' ' ILE . 53.1 t -102.72 115.99 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.48 140.55 52.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 15.3 m-85 -103.8 107.55 18.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 56.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.3 42.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -71.83 144.82 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -93.18 111.47 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -113.48 115.76 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 46' ' ' ILE . 79.1 mt -97.17 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -101.41 125.55 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -83.28 89.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.17 -31.17 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -134.68 -170.87 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 -172.77 47.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.15 18.11 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 3.87 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.4 115.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.99 -2.05 24.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.03 156.2 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.1 138.86 17.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.9 170.44 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -149.12 147.35 28.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -145.26 171.56 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.57 165.19 18.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.4 Cg_endo -74.98 130.01 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.81 13.14 44.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -111.71 109.24 19.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.5 m -66.55 123.11 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.26 94.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -78.4 107.16 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.3 t -91.84 118.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.26 -146.82 5.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.2 ttt180 -116.58 -10.26 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 15' ' ' LEU . 74.2 mt -139.43 134.71 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.2 137.41 54.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 6.3 mt -122.84 131.36 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.34 68.32 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 7.1 t0 -115.82 -9.04 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 79.3 -55.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.45 -24.18 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -93.72 140.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 157.49 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.3 p -37.94 -53.06 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -116.13 69.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.2 t60 -69.53 -64.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.76 172.33 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -133.84 145.59 49.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.83 134.17 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -142.67 166.86 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.1 t -128.78 139.41 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -144.28 156.05 44.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.9 62.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 39.82 40.38 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.66 165.69 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 88.3 m95 -113.59 143.36 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.27 153.84 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.9 145.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.34 123.34 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLY . 19.6 t0 -82.77 107.07 15.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.6 61.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 37.84 42.91 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.618 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.2 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 83' ' ' ASN . 45.2 mt -120.68 141.85 50.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 tp -127.16 103.54 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 56.4 m-80 66.91 -68.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' LEU . 5.0 m -163.06 57.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 79' ' ' LEU . 10.7 t30 -172.01 133.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.13 121.53 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.93 165.65 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.56 152.68 62.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -40.39 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.3 12.54 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -139.38 141.79 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.8 125.99 38.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.62 160.46 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.82 122.21 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.1 mt -58.38 167.35 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 97' ' ' ASP . . . -155.22 153.41 24.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -66.15 106.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.34 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 6.3 m-20 -93.07 125.23 37.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.85 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 109' ' ' VAL . 20.8 mt -103.83 107.86 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -98.42 105.91 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.94 162.19 24.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.68 -126.03 10.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.88 -68.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -130.45 50.65 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.3 m -115.46 120.46 39.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -120.04 135.74 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 15' ' ' LEU . 32.3 mt -122.42 130.5 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.48 HD22 ' ND2' ' A' ' 110' ' ' ASN . 0.8 OUTLIER -97.05 137.91 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 99' ' ' ILE . 54.7 t -102.89 116.77 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.48 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.53 135.32 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.3 m-85 -98.75 106.72 19.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.447 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 7.4 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 146.42 32.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -66.39 150.91 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD22 ' CZ3' ' A' ' 67' ' ' TRP . 22.4 tp -91.67 112.54 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -111.62 102.86 11.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 46' ' ' ILE . 70.4 mt -88.88 112.22 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.419 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 39.0 t -105.68 125.08 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -85.22 91.63 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -76.0 -28.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -134.18 -175.01 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.26 -176.49 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.05 20.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' NH2' ' CG2' ' A' ' 46' ' ' ILE . 6.4 mtm180 -100.03 3.76 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -39.6 121.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.44 3.85 35.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.72 154.2 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.26 145.4 25.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.64 174.04 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -148.57 142.22 25.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CG ' HG12 ' A' ' 35' ' ' ILE . 94.3 m-85 -146.17 152.01 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.68 164.35 60.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.447 ' CB ' ' HB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 129.03 11.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.58 15.94 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.33 113.65 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -67.62 122.78 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 HG12 ' CG ' ' A' ' 29' ' ' TYR . 2.7 mp -108.34 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -75.94 118.47 18.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 98.9 t -107.06 117.83 53.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.18 -154.44 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -104.91 -28.99 10.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.42 HG12 ' CB ' ' A' ' 55' ' ' THR . 5.9 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 15' ' ' LEU . 39.1 mt -93.94 137.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.87 140.16 43.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 2.8 mp -127.98 124.43 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 mmpp? -75.19 66.34 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -132.01 109.88 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.41 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -56.44 -46.1 88.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -80.67 167.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.81 172.3 13.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.42 ' CB ' HG12 ' A' ' 40' ' ' ILE . 44.2 p -73.36 109.04 6.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.0 mttt 79.77 28.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.6 t60 -39.05 -57.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -151.32 171.89 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' N ' HD23 ' A' ' 72' ' ' LEU . 14.4 ptt180 -134.2 133.28 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' A' ' 13' ' ' LEU . 70.7 mt -101.54 136.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 173.46 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -122.27 136.45 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 65' ' ' GLY . 9.0 t0 -102.16 -151.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.32 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 41.33 47.38 4.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.574 1.171 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -156.91 165.53 35.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CZ3' HD22 ' A' ' 13' ' ' LEU . 97.0 m95 -108.53 143.11 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.88 155.08 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -123.38 147.71 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -141.19 126.29 18.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.28 111.37 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -73.34 57.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.35 45.21 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.607 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' HD21 ' A' ' 58' ' ' LEU . 7.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 83' ' ' ASN . 29.8 mt -115.92 145.61 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' SER . 14.4 tp -127.18 104.11 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 41.0 m-80 68.14 -67.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 11.5 p -165.11 43.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -156.19 134.25 11.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.79 122.8 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.73 176.76 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.6 147.33 63.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -35.14 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -91.51 23.56 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.0 m -153.15 140.1 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.12 125.35 47.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.15 148.56 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 15.2 p-10 -84.26 113.71 21.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.75 164.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.2 161.06 27.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.25 100.17 3.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.16 19.88 6.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.34 123.62 33.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.19 123.74 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 109' ' ' VAL . 41.4 mt -103.81 104.1 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -94.89 105.47 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.3 164.15 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -132.04 24.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt-10 -95.03 -69.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -131.78 50.54 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.3 m -114.33 116.43 28.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 m -117.55 132.15 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.3 mt -119.1 124.25 72.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.43 HD22 ' ND2' ' A' ' 110' ' ' ASN . 2.3 tt -92.32 136.27 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 99' ' ' ILE . 59.4 t -101.51 121.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.43 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -128.37 127.8 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -89.41 108.89 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.409 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.33 35.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.64 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -67.08 152.63 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 24.6 tp -91.47 110.03 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -104.32 101.75 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 46' ' ' ILE . 72.2 mt -88.72 108.84 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -100.43 125.26 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 48' ' ' ILE . 9.1 m-85 -82.64 90.34 6.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.98 -29.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -136.26 -177.32 4.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.91 -173.24 39.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -75.02 -14.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.65 7.44 42.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -44.13 114.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.24 4.33 25.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.16 165.95 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.08 142.13 15.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.82 172.95 10.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -148.56 140.18 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.32 145.54 32.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.31 164.58 58.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.15 13.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.27 14.23 42.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -112.29 105.59 13.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.043 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -62.26 122.5 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.07 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -85.34 107.8 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 24.0 t -98.89 124.96 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.49 -153.79 6.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -103.0 -38.99 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 15' ' ' LEU . 45.4 mt -135.99 134.92 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.93 113.92 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 mt -101.92 104.39 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 61.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.3 t0 -90.05 -77.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 162.4 -59.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.49 -15.9 19.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.02 158.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.26 169.55 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 p -46.61 -62.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.9 t-160 -65.41 -66.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 78' ' ' THR . 0.2 OUTLIER -148.49 172.49 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -134.5 132.93 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.4 mt -106.49 133.21 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -115.66 162.2 17.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.2 t0 -121.43 94.53 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -141.76 34.39 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 62' ' ' SER . 15.6 m120 -142.71 164.42 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.469 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 98.0 m95 -109.42 136.26 49.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.47 149.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.48 147.58 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -139.3 128.99 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.56 104.91 16.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -72.07 58.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.82 46.19 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.444 ' CG2' HD21 ' A' ' 58' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -120.61 137.25 54.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 85' ' ' LEU . 12.4 tp -121.5 110.6 16.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 60.07 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -144.95 60.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -177.61 143.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.71 122.68 29.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 80' ' ' LEU . 87.5 mt -64.35 166.75 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.72 147.3 45.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.03 2.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.57 15.0 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -140.83 138.03 33.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.87 126.16 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.76 164.71 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 8.6 p30 -94.94 112.73 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.1 mt -47.12 156.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.96 158.7 24.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 113.55 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.27 17.77 19.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.67 121.12 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.2 t -92.51 122.82 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 109' ' ' VAL . 31.8 mt -103.55 102.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 104.63 16.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.6 161.17 28.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.53 -139.86 28.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -91.42 -64.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -131.94 41.41 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -108.1 123.57 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 m -128.24 136.72 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 15' ' ' LEU . 41.4 mt -122.84 135.68 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.5 tp -101.79 140.89 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 99' ' ' ILE . 75.4 t -106.29 111.77 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.19 125.03 46.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -84.4 110.21 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.64 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 31.0 m . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 2.6 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.72 32.85 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -64.48 146.3 54.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -92.06 110.94 22.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.9 ttt180 -109.99 113.52 26.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 46' ' ' ILE . 78.3 mt -93.88 109.54 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 76.1 t -98.45 129.9 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.57 83.79 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 m -70.77 -32.18 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -135.72 -178.32 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.57 -171.67 27.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.4 14.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -100.18 11.14 40.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -43.4 114.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 1.89 19.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.49 163.15 12.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.68 141.06 16.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.81 170.9 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 1.1 p30 -148.78 148.85 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 45' ' ' GLU . 65.6 m-85 -146.61 179.34 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 165.39 14.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.96 130.91 13.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 12.65 55.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -107.51 115.97 31.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -72.1 125.05 26.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.26 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.15 104.09 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 25.9 t -93.96 123.2 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.06 -155.29 6.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -102.15 -36.55 8.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 55' ' ' THR . 29.3 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 15' ' ' LEU . 86.7 mt -141.15 139.81 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.34 143.17 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.428 HG23 ' CD1' ' A' ' 53' ' ' ILE . 13.3 mt -132.19 132.28 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -99.9 65.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.9 t70 -108.37 -9.86 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.6 -54.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.25 -30.28 5.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 48' ' ' ILE . 5.8 mt -86.05 168.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -135.3 -178.91 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 41.9 p -77.56 113.94 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 70.81 29.49 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.3 t60 -39.23 -50.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -157.62 167.33 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -130.62 142.2 50.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.72 131.62 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 167.4 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.3 t -127.64 138.53 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' ASN . 7.3 t70 -145.39 161.19 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.02 54.32 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.35 37.91 8.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.9 m120 -144.77 168.98 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 85.7 m95 -113.28 139.78 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.87 158.67 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -125.46 147.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.7 127.43 19.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.088 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -84.25 109.68 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -69.98 59.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.96 51.19 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 18.1 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD21 ' C ' ' A' ' 83' ' ' ASN . 40.9 mt -116.02 143.34 45.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' SER . 14.0 tp -127.26 103.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 67.93 -67.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 36.6 t -164.36 46.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.425 ' C ' HD21 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -157.47 135.69 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.83 123.6 28.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.07 173.51 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.15 152.12 77.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.23 2.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.9 20.89 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.2 m -144.34 145.28 31.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -126.44 126.94 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.79 149.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -90.89 116.46 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 mt -50.4 178.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.5 149.77 16.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.1 t70 -63.85 108.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.28 12.06 20.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.48 121.39 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.82 124.36 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.417 HD13 ' CG2' ' A' ' 109' ' ' VAL . 28.8 mt -104.69 106.24 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.34 105.72 17.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.46 170.56 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.63 -124.88 22.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -109.03 -57.99 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -136.89 40.89 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -106.91 120.01 40.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -120.79 133.73 55.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.7 mt -122.61 127.6 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 tt -96.42 137.58 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 99' ' ' ILE . 54.1 t -98.57 116.07 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.99 135.24 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.7 m-85 -98.27 113.33 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 5.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.09 26.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -57.59 158.37 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -103.73 110.83 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -111.32 107.96 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.9 mt -91.17 109.3 20.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.06 126.28 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -84.28 88.04 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -71.83 -31.53 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 18.5 mttt -136.84 -170.93 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 88.59 -173.0 41.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.48 20.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -106.36 18.86 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.22 117.07 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.52 -2.48 24.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.58 157.73 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.33 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -130.57 174.23 10.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -149.03 146.4 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -143.93 175.21 10.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -93.84 163.35 24.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.04 127.07 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.79 38.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -111.79 108.06 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 0.784 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.4 m -61.55 128.48 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.96 94.73 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -77.93 108.73 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.487 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 79.3 t -96.53 120.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.35 -148.15 5.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -106.72 -25.89 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -131.25 143.13 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -137.61 156.15 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -132.68 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 72.13 9.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' OD2' ' CA ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -145.84 118.97 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.8 -29.44 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' ' OD2' ' A' ' 50' ' ' ASP . . . -61.26 -23.11 61.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.6 mt -106.37 139.25 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.5 172.15 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -53.01 -48.37 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.21 58.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -56.54 -67.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -147.5 173.1 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' A' ' 70' ' ' GLN . 15.3 ttt-85 -132.54 137.06 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.09 134.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HG2' ' NH2' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -145.86 170.84 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.1 t -127.04 141.27 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -147.74 155.75 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.24 63.15 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.5 46.51 2.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -155.3 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 90.1 m95 -112.01 141.74 45.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.34 147.82 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -111.69 144.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' A' ' 72' ' ' LEU . 4.2 tt0 -135.47 120.29 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.25 107.2 18.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.69 58.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 33.66 44.37 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.6 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 83' ' ' ASN . 16.0 mt -95.78 146.28 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' SER . 23.3 tp -127.2 104.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.3 m-80 67.33 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 28.9 p -163.8 59.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.7 t-20 -174.78 136.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.57 117.22 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 13.9 mt -57.95 179.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -131.59 140.87 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -26.82 10.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.2 32.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.5 m -157.8 152.28 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.0 p -122.17 125.6 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -103.67 159.0 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.58 109.78 21.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.37 165.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.97 23.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 3.2 t0 -64.44 116.01 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.05 20.03 22.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -90.58 125.17 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.11 119.49 46.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 109' ' ' VAL . 13.3 mt -102.68 112.29 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -97.76 105.09 17.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -126.23 152.26 46.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.95 -135.3 14.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -100.41 -64.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -130.26 50.17 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.456 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -121.54 123.85 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 16.3 m -125.39 139.36 53.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 46.4 mt -122.29 139.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 tp -109.1 139.84 43.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 99' ' ' ILE . 67.0 t -104.54 123.57 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.42 129.33 44.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.1 m-85 -91.84 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.1 23.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.646 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -56.73 154.6 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.576 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 16.2 tp -90.93 110.14 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -108.89 101.79 10.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 46' ' ' ILE . 38.4 mt -90.26 120.45 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.98 124.86 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 42.2 m-85 -84.93 94.44 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -80.95 -24.84 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -134.78 -171.87 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 80.15 -173.47 54.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.95 -23.13 14.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.556 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -87.05 -2.93 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -36.13 116.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.12 -3.38 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.02 151.69 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -148.92 157.03 43.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.84 174.54 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -149.16 135.64 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' O ' ' OG ' ' A' ' 12' ' ' SER . 85.2 m-85 -139.16 145.24 39.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -70.76 165.46 46.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 134.58 18.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.4 14.16 54.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.0 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -68.25 130.02 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -115.32 100.59 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 100.96 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 8.8 t -90.46 123.96 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.19 -160.28 9.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -29.97 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 HG12 ' CB ' ' A' ' 55' ' ' THR . 2.7 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 15' ' ' LEU . 23.9 mt -115.5 136.89 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.1 140.4 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 21' ' ' PRO . 6.1 mt -129.75 113.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -75.67 70.6 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.8 t0 -109.01 -81.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 161.54 -57.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.52 -19.26 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.5 mt -92.89 142.68 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -113.59 156.99 22.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' SER . 75.2 p -37.4 -57.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 69.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.641 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 2.9 t-160 -69.25 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.73 169.88 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -130.21 151.16 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 13' ' ' LEU . 46.0 mt -118.71 141.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.19 161.72 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 1.2 t -123.35 144.15 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.05 144.91 27.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.95 52.3 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.07 44.38 25.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 m-20 -149.41 165.47 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 96.5 m95 -112.05 139.62 47.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.29 151.24 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 99' ' ' ILE . 2.3 tt -121.59 146.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.03 124.0 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.68 106.76 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -71.79 59.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.78 54.43 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.641 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 95.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 83' ' ' ASN . 39.2 mt -116.3 142.02 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 82' ' ' SER . 15.0 tp -127.18 105.19 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 69.5 m-80 64.72 -72.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -158.52 64.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.407 ' C ' HD22 ' A' ' 79' ' ' LEU . 3.4 t30 178.68 136.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.66 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 80' ' ' LEU . 67.1 mt -65.14 177.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.82 75.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.69 2.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 31.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -152.65 143.46 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.5 p -127.84 129.49 47.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 t -111.0 163.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -97.47 113.82 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -47.63 152.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 152.87 23.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t0 -68.14 120.95 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.91 37.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.54 119.12 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.9 t -88.04 125.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 109' ' ' VAL . 46.9 mt -107.92 100.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.37 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.2 pt? -126.01 160.34 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 -134.84 18.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -95.92 -68.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.5 m-85 -129.19 45.33 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 m -112.64 125.8 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.7 m -128.25 139.11 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.431 ' CD1' HD21 ' A' ' 101' ' ' LEU . 11.6 mt -125.37 127.25 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.88 133.51 39.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 99' ' ' ILE . 71.5 t -97.57 116.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.99 125.33 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 10.2 m-85 -85.8 113.92 22.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.646 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 17.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 52.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.58 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.641 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.6 151.51 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -90.49 110.4 21.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -105.25 108.72 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.93 110.79 22.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -101.26 124.99 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 8.2 m-85 -85.26 88.17 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -75.47 -30.35 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -138.51 171.0 15.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.96 -169.06 19.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.83 14.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.549 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.34 4.85 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.66 115.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 7.06 32.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.74 164.23 11.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.48 132.54 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.78 170.78 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -148.69 144.85 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' OH ' ' CG1' ' A' ' 46' ' ' ILE . 74.6 m-85 -146.75 147.83 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -69.49 160.67 78.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.505 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.0 132.88 15.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.96 7.75 56.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -106.18 119.15 38.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.7 m -73.46 119.36 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.3 mt -104.66 94.84 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 105.12 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.439 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 10.4 t -90.27 116.7 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.53 -157.58 7.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -103.62 -37.31 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' OH ' ' A' ' 29' ' ' TYR . 96.6 mt -141.4 138.97 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.04 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 53' ' ' ILE . 11.4 mt -128.58 125.19 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -95.71 72.88 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 2.5 t70 -120.47 -0.53 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 80.22 -63.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.65 -27.32 0.31 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 48' ' ' ILE . 6.1 mt -89.35 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.57 173.44 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -49.17 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 62.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.555 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 3.4 t-160 -59.62 -66.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -150.86 172.2 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -135.04 140.66 45.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 46.3 mt -113.56 137.97 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -149.77 166.74 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.6 t -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -147.6 155.62 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.85 60.53 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 40.49 44.23 3.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -152.78 168.27 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 94.1 m95 -111.09 144.3 40.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.61 154.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -122.65 146.92 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -138.3 126.81 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -85.84 105.15 16.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -70.62 59.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 36.28 36.87 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.555 ' OG ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 83' ' ' ASN . 36.4 mt -123.23 141.85 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 8.8 tp -127.41 110.2 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER 66.83 -69.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -166.6 50.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.425 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.4 m-20 -164.68 136.98 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.56 120.76 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.93 173.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.6 147.24 55.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.9 1.81 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.451 1.764 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.29 23.56 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.5 m -144.79 149.38 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.7 p -125.76 124.18 40.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.6 t -106.6 147.52 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -88.7 114.87 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 76.3 mt -52.37 168.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.0 155.47 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.6 107.99 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.15 8.93 21.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -81.73 120.87 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.27 112.51 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 109' ' ' VAL . 34.8 mt -93.01 105.94 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -97.34 104.76 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.21 168.68 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.21 -138.36 32.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -96.09 -56.25 2.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -137.83 38.79 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.3 m -103.63 123.2 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -126.4 130.23 50.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.0 mt -119.96 130.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.6 tp -98.29 139.38 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' ' 99' ' ' ILE . 55.3 t -101.95 113.82 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 122.48 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -83.66 112.4 20.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.641 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 19.4 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 36.9 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.36 36.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -70.39 144.46 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -91.62 110.63 21.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -115.96 107.92 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -89.45 122.21 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.21 125.07 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 57.9 m-85 -84.98 93.38 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.57 -29.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 10.9 mttt -134.86 -175.54 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 -169.42 40.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.97 -28.77 8.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.02 -0.67 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.93 114.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 -7.37 28.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.05 153.04 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.59 155.13 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -135.5 171.56 14.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -147.56 136.83 22.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -135.94 170.98 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -94.6 166.67 14.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.4 Cg_endo -74.98 126.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.768 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.06 13.23 29.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -112.53 112.68 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -71.09 113.74 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 2.6 mp -95.56 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.06 107.21 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.48 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 19.0 t -94.67 114.87 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.64 -160.02 8.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -101.93 -56.5 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.456 HG12 ' CG2' ' A' ' 55' ' ' THR . 6.6 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.3 mt -113.51 140.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.33 132.33 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 5.5 mt -129.86 119.56 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -91.92 72.73 5.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 25.8 t0 -111.57 9.93 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 73.36 -59.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.84 -22.38 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.477 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 48.9 mt -96.59 139.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 163.6 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.456 ' CG2' HG12 ' A' ' 40' ' ' ILE . 22.5 p -42.09 -65.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.98 68.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.644 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.7 t-160 -67.53 -63.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.43 170.5 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -137.25 139.02 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ILE . 12.5 mt -102.15 132.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 166.64 24.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.27 153.56 37.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -120.69 109.1 14.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.68 -83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.4 24.14 3.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -128.84 159.81 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 89.8 m95 -113.61 138.76 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.64 158.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -123.53 142.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.95 124.57 19.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.83 106.31 16.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.56 60.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.65 56.96 0.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.644 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 6.0 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.9 mt -115.95 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' SER . 36.3 tp -126.33 109.57 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 61.4 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.6 m -148.53 60.65 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -175.61 142.06 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.87 124.19 32.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD23 ' CB ' ' A' ' 80' ' ' LEU . 37.4 mt -67.04 172.38 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.64 152.43 77.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -35.91 2.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -93.77 27.3 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -146.76 146.2 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 95.1 p -126.4 128.18 46.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -110.63 157.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -96.82 124.03 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.81 164.95 9.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 109' ' ' VAL . . . -146.26 -168.1 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.9 116.85 32.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.21 22.08 30.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.19 121.86 28.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.87 123.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -106.71 108.14 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -97.84 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.19 171.03 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.47 -127.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -102.89 -54.27 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -143.17 30.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -92.1 117.69 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 14.0 m -117.27 128.37 55.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.1 mt -114.84 142.95 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.24 142.33 40.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 94' ' ' GLY . 55.8 t -104.96 113.81 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 128.11 53.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -93.35 106.86 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.42 113.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.5 98.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.06 -141.41 4.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -122.97 -61.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.34 136.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.0 114.82 4.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -86.69 139.91 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -107.52 -8.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 8.3 m -95.52 119.16 65.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.99 27.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -63.27 147.75 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 42.9 tp -91.8 114.76 27.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -113.55 103.38 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.2 mt -87.24 111.25 20.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.7 124.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.0 m-85 -82.21 88.83 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -74.78 -32.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.63 -178.39 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -172.28 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.4 20.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.54 3.37 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -39.33 115.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.29 1.75 24.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.51 162.94 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.85 141.35 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.23 169.8 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.62 134.58 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.09 162.9 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -84.12 163.76 46.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.4 Cg_endo -74.96 130.38 13.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.58 19.29 38.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.12 107.35 15.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 m -60.94 129.58 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mt -116.53 96.18 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.64 106.25 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 47.8 t -93.95 119.11 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.14 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -101.12 -43.29 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -97.26 139.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.56 -35.84 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.14 115.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.47 65.47 2.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -168.0 135.82 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 0.769 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -36.75 76.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.89 138.53 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.51 127.94 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.2 mt -120.37 129.32 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.69 65.03 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -108.95 4.57 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 72.11 -60.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.76 -24.69 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -92.28 139.54 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.05 159.16 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.7 p -38.7 -58.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 2.9 t-160 -71.16 -65.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -153.18 170.33 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -132.31 143.22 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 13' ' ' LEU . 50.1 mt -106.77 135.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.94 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.349 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 163.49 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -127.03 95.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.12 -81.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.24 42.16 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -153.69 168.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 96.3 m95 -112.4 141.52 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.56 154.94 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.0 145.52 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -139.74 125.28 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' GLY . 37.9 t0 -84.3 106.26 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -69.97 60.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.53 50.27 1.0 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 79.6 p -58.93 161.51 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 70.87 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 162.9 -54.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.05 147.53 9.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.8 m -102.3 145.18 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 83' ' ' ASN . 34.7 mt -116.98 143.05 46.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 82' ' ' SER . 24.0 tp -127.08 104.92 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 66.0 m-80 66.64 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.4 t -162.3 47.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -158.67 136.3 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.78 122.82 28.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 mt -70.24 170.85 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.68 154.52 81.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.12 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.553 1.818 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.57 19.39 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 m -140.51 141.39 35.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.408 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 82.8 p -122.19 131.49 53.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.66 157.22 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -98.33 126.01 43.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.84 161.77 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -139.97 -167.53 11.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 104.65 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.17 27.13 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.22 124.62 34.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -94.61 127.06 46.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 109' ' ' VAL . 30.4 mt -108.68 106.99 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -99.13 105.57 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -125.57 167.6 14.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.7 -131.57 26.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -100.75 -63.49 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -133.27 48.94 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 m -114.67 121.29 42.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.8 m -122.9 135.2 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.3 mt -122.73 132.13 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.7 tp -100.17 134.26 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 99' ' ' ILE . 75.6 t -98.55 120.74 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.56 130.63 49.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.448 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 14.3 m-85 -91.83 106.6 18.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -92.88 113.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -119.6 107.58 13.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.8 174.0 20.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 146.87 33.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.0 p -43.67 127.54 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 p -66.84 152.68 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.66 95.57 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -174.86 130.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.8 67.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -108.39 161.6 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -133.86 140.6 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.6 -103.42 0.17 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 tpt 66.64 92.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -86.95 1.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m -134.94 115.41 12.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.06 29.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -64.07 148.99 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 67' ' ' TRP . 27.2 tp -91.88 113.21 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -112.24 102.75 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 46' ' ' ILE . 80.2 mt -89.52 109.5 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.36 132.27 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.54 87.09 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.25 -34.09 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 14.3 mttt -135.72 -177.26 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 95.27 -171.95 30.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.63 18.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -104.41 15.65 27.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.12 115.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.75 0.05 23.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.31 165.13 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.21 151.98 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -131.62 172.22 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.11 135.93 20.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 35' ' ' ILE . 97.4 m-85 -139.71 153.66 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.31 164.27 60.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.517 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.5 Cg_endo -74.99 130.32 13.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.31 6.66 56.57 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.99 106.21 16.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.1 m -61.7 129.65 42.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.43 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.7 mp -114.54 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 118.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 32.8 t -103.54 118.32 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.01 -155.29 6.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -109.32 -24.58 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.9 pt -109.67 131.69 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.436 HG13 ' CB ' ' A' ' 47' ' ' ALA . 5.6 m -61.02 -36.82 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.78 99.58 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.59 -57.88 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.72 156.18 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -64.44 -61.34 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 15' ' ' LEU . 64.7 mt -93.4 137.43 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -132.31 127.95 36.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.512 ' CG2' ' CD1' ' A' ' 53' ' ' ILE . 5.4 mt -119.67 131.81 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.1 65.71 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 6.3 t0 -109.76 -6.85 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.44 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -26.14 24.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.512 ' CD1' ' CG2' ' A' ' 48' ' ' ILE . 5.7 mt -92.37 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.2 160.05 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -40.59 -60.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 71.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 4.3 t60 -75.52 -65.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -153.87 170.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -136.7 144.05 43.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 13' ' ' LEU . 13.0 mt -108.01 140.83 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.31 167.88 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.78 143.96 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -144.22 154.62 43.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.56 61.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 42.4 42.67 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -149.72 168.56 23.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 13' ' ' LEU . 98.0 m95 -109.38 147.14 33.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.33 147.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.0 142.09 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -142.11 121.56 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -90.91 114.53 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.25 56.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.2 50.37 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -41.12 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -174.76 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -69.46 -49.51 54.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.67 132.87 4.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.408 ' CG2' HD21 ' A' ' 58' ' ' LEU . 6.4 m -93.21 135.49 34.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 84' ' ' ALA . 12.5 mt -111.68 148.47 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' SER . 46.9 tp -126.57 112.3 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 60.98 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 20.2 m -148.65 64.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t30 179.56 147.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' CB ' HD21 ' A' ' 79' ' ' LEU . . . -87.9 133.98 33.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 48.5 mt -71.94 -175.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -143.93 140.04 16.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.44 12.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -100.9 29.24 4.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.9 m -156.99 152.63 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -125.41 127.78 47.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.5 t -109.21 157.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -95.93 122.65 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.95 157.84 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.32 156.51 26.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 123.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.64 23.5 36.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -94.94 122.53 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -90.49 130.39 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.46 HD11 ' CG2' ' A' ' 109' ' ' VAL . 22.9 mt -109.4 109.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -97.6 105.71 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -125.29 170.16 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.47 -109.57 2.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -119.78 -68.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -114.95 -28.33 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.459 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 2.1 m -38.32 131.08 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 41.7 m -134.79 134.47 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.435 HG23 ' CD2' ' A' ' 15' ' ' LEU . 33.4 mt -119.84 134.09 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 110' ' ' ASN . 1.2 tt -102.62 138.43 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 99' ' ' ILE . 75.0 t -102.24 119.03 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -128.84 128.46 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -91.1 113.94 26.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.84 116.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.8 t -88.04 159.29 18.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.67 154.95 45.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 66.52 6.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.5 p -63.79 -55.99 18.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.046 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 t -107.5 129.91 54.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.036 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -74.16 144.53 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m 48.95 86.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 93.77 0.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 -62.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.35 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 -84.74 1.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.26 134.48 43.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 m -68.92 -17.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 22.2 m -81.45 120.33 77.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.72 29.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -66.02 147.75 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 48.3 tp -91.79 114.98 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -113.82 99.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 46' ' ' ILE . 77.8 mt -82.91 111.26 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -99.71 124.98 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 15.2 m-85 -83.68 88.49 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -73.87 -33.25 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.6 -170.23 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.31 -170.52 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.27 15.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -93.19 3.43 55.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.02 114.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.66 1.46 29.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.94 159.67 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.98 132.78 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 46' ' ' ILE . 1.4 mt -116.83 170.24 8.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -148.46 133.81 18.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.99 159.46 41.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 164.28 55.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' CB ' ' HB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 130.28 13.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.71 16.84 43.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.24 110.8 20.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.2 m -63.96 125.91 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.3 mt -112.35 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -76.58 111.96 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 37.8 t -100.48 110.85 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.73 -151.95 7.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -105.88 -32.39 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG12 ' CB ' ' A' ' 55' ' ' THR . 23.8 pt -101.47 141.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.31 -35.74 64.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.71 112.74 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.21 -47.53 1.03 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-80 -107.84 149.53 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.66 -63.13 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' CD1' HD13 ' A' ' 15' ' ' LEU . 63.4 mt -93.99 137.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.67 127.31 34.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 HG23 ' CD1' ' A' ' 53' ' ' ILE . 5.9 mt -118.6 123.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -91.98 62.74 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 4.1 t70 -105.7 -8.14 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.89 -52.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.99 -17.9 10.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 48' ' ' ILE . 6.3 mt -100.69 138.19 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -100.01 159.92 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.438 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 16.4 p -44.27 -35.3 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -132.51 68.06 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.5 t60 -67.26 -66.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -150.06 170.81 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -133.79 138.39 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ILE . 74.8 mt -102.48 138.41 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' HG21 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -148.23 165.42 31.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.54 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 29.4 t -125.89 147.56 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.5 m-20 -156.89 160.65 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.57 53.98 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.5 37.69 6.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.8 m120 -148.07 165.19 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 93.8 m95 -106.88 148.5 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.15 151.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 tt -117.83 145.84 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -140.91 123.17 15.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' GLY . 12.3 t0 -84.84 106.94 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -69.91 61.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 37.08 45.75 1.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.634 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 96.1 p -63.12 172.16 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.1 m -75.58 150.54 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 69.3 -63.92 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 133.86 153.0 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.7 m -95.91 159.48 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.36 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 HD21 ' C ' ' A' ' 83' ' ' ASN . 30.5 mt -134.03 130.75 37.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' CB ' HD23 ' A' ' 85' ' ' LEU . 49.9 tp -117.53 113.21 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 62.23 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -151.53 57.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.402 ' C ' HD21 ' A' ' 79' ' ' LEU . 1.8 t-20 -173.57 141.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.99 124.17 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' A' ' 80' ' ' LEU . 82.9 mt -65.79 176.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.98 148.69 65.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.05 23.81 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 m -153.13 140.79 19.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.12 129.7 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.2 158.64 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.67 131.27 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.08 156.81 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.77 149.07 20.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.94 125.04 25.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 0.801 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.95 3.03 58.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.61 153.62 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.32 109.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.74 110.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.53 105.82 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 107' ' ' ILE . 0.8 OUTLIER -125.27 164.14 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.93 -134.63 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.88 -66.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -128.67 49.87 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 m -117.39 122.39 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.5 m -123.33 133.67 54.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CD1' HD23 ' A' ' 101' ' ' LEU . 33.7 mt -120.52 135.51 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.3 tp -102.91 144.05 31.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.35 121.66 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.79 127.45 42.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.6 m-85 -93.68 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 37.0 t -95.3 126.94 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.7 t -114.86 -45.43 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.67 -170.68 12.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.19 41.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -154.16 164.73 38.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.0 t 51.31 88.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.29 80.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t 61.82 155.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.16 172.04 45.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 m 61.2 158.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 161.89 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.01 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.74 98.29 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -86.42 170.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.2 m 63.76 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.42 36.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.04 147.75 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' CE3' ' A' ' 67' ' ' TRP . 46.7 tp -91.74 120.49 32.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -118.89 100.82 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 107' ' ' ILE . 72.8 mt -86.11 109.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.83 127.0 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.01 90.26 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.11 -30.63 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -136.06 -176.42 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.44 -172.25 39.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.16 19.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 4.22 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.33 115.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.52 -4.39 26.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.12 158.75 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.13 136.62 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -121.56 168.72 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' TYR . 44.0 t0 -146.07 141.12 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 98.2 m-85 -141.78 163.06 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 162.33 56.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.01 128.13 11.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.67 9.35 46.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.4 106.07 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.736 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 m -61.23 120.82 11.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.2 mt -106.8 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLU . 24.5 mtp180 -75.94 112.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.5 t -98.29 121.0 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.66 -154.98 6.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -107.99 -32.07 7.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.596 ' CD1' ' CG2' ' A' ' 55' ' ' THR . 42.2 pt -97.69 140.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -63.09 -38.57 82.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.35 133.21 43.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.93 -65.02 1.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-80 -89.93 147.74 23.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ARG . 33.3 mm-40 -66.73 -63.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -91.95 131.75 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.17 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -114.82 137.19 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 53.07 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 14.2 t0 -103.83 -17.59 14.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.58 -51.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.01 -24.89 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 101' ' ' LEU . 6.2 mt -97.16 145.05 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.84 156.83 17.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.596 ' CG2' ' CD1' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -39.75 -53.78 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.44 171.72 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' N ' HD21 ' A' ' 72' ' ' LEU . 7.6 ptt180 -135.58 143.19 45.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' A' ' 13' ' ' LEU . 87.3 mt -104.73 138.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 165.18 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.4 t -126.66 141.66 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.5 161.55 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.01 52.78 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.46 44.79 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -153.13 168.75 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.544 ' CE3' HD23 ' A' ' 13' ' ' LEU . 96.8 m95 -109.09 144.61 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.21 152.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.32 143.72 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -142.29 127.23 18.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.95 113.33 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -74.83 57.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.31 65.93 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -97.63 165.32 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' GLY . 68.2 m -61.03 166.4 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 60.62 -83.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 141.41 154.64 6.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.4 ' CG2' HD22 ' A' ' 58' ' ' LEU . 5.5 m -95.12 140.38 30.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 83' ' ' ASN . 44.4 mt -117.73 141.19 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 21.1 tp -126.93 105.46 8.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.42 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 59.5 m-80 67.31 -68.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -164.61 54.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' HD23 ' A' ' 79' ' ' LEU . 4.6 t-20 -167.67 135.29 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.3 120.15 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD21 ' CB ' ' A' ' 80' ' ' LEU . 52.2 mt -66.01 171.87 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.4 152.85 81.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.23 2.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.22 24.25 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.8 m -144.63 142.55 30.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.411 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 80.4 p -126.34 130.71 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.42 152.37 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -89.58 121.02 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 mt -55.23 160.81 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.15 149.57 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -63.76 114.48 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.42 13.63 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -84.11 125.48 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.65 125.21 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.448 HD13 ' CG2' ' A' ' 109' ' ' VAL . 18.4 mt -107.78 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -99.6 106.1 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.12 163.69 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.66 -126.13 10.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.53 -68.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -128.71 53.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 m -120.68 121.16 37.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.1 m -122.36 135.24 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 15' ' ' LEU . 21.7 mt -122.08 134.1 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tp -100.59 140.2 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.448 ' CG2' HD13 ' A' ' 99' ' ' ILE . 65.9 t -105.01 119.78 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.95 131.18 53.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 11.9 m-85 -93.14 107.76 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.77 110.26 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.44 116.24 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.0 -164.03 32.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.13 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.68 94.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 p -60.58 -58.43 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 p -146.17 143.49 29.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -131.23 105.15 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.3 -60.78 1.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m 58.43 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 p -170.2 166.51 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.945 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.98 145.39 15.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -179.21 156.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 8' ' ' MET . 25.3 m 33.2 89.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 94.6 m 67.18 120.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.38 36.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -64.57 148.18 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD23 ' CE3' ' A' ' 67' ' ' TRP . 56.6 tp -91.34 115.59 28.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -113.43 102.7 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' HG22 ' A' ' 107' ' ' ILE . 71.9 mt -87.13 111.95 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.72 124.57 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' CE1' HD11 ' A' ' 48' ' ' ILE . 6.3 m-85 -81.45 83.96 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 m -70.51 -33.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.0 mttm -136.77 179.13 6.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.48 -172.97 24.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -15.43 20.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -109.5 16.81 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -48.21 118.5 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.27 5.59 22.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.55 163.18 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.89 132.18 10.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -117.62 169.34 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.92 145.61 27.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -147.19 166.72 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 162.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 129.16 12.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.15 13.28 53.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.84 108.8 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -62.59 119.78 9.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.4 mt -107.1 94.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -76.55 114.86 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 15.1 t -103.47 129.11 55.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.11 -146.18 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.31 -41.7 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.67 144.04 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -68.0 -37.55 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 120.79 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.15 -62.63 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.85 148.44 22.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' ARG . 67.6 mm-40 -62.32 -61.11 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 15' ' ' LEU . 81.0 mt -95.45 140.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.14 146.1 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 ' CG2' ' CD1' ' A' ' 53' ' ' ILE . 27.1 mt -136.56 119.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -88.2 68.83 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -119.19 -3.05 10.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 80.72 -60.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.85 -28.75 0.15 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' N ' ' C ' ' A' ' 51' ' ' ALA . 3.2 mt -93.79 140.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.812 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -108.66 162.26 14.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 p -38.43 -64.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 70.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 3.0 t-160 -69.25 -63.73 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -155.73 171.9 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -134.88 141.36 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 13' ' ' LEU . 89.8 mt -105.69 139.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 166.96 30.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -124.62 140.94 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.1 160.59 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.08 56.14 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.35 44.49 7.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -154.97 167.68 29.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' HD23 ' A' ' 13' ' ' LEU . 95.9 m95 -105.71 147.03 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.11 156.39 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.63 144.07 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -142.21 126.27 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 110.58 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -74.65 57.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.99 55.97 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 4.2 t -50.6 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.62 -62.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -83.74 -45.81 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 168.48 12.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -112.3 139.07 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD21 ' C ' ' A' ' 83' ' ' ASN . 19.1 mt -109.7 143.64 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 82' ' ' SER . 26.7 tp -127.25 107.44 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.8 m-80 63.79 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -156.33 47.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -159.29 138.08 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.93 124.54 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.43 170.27 15.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.44 150.93 75.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.64 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.54 1.81 . . . . 0.0 111.043 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.52 33.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -157.4 146.65 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.8 p -119.66 130.38 55.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.4 t -112.9 149.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -90.75 123.44 34.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 49.5 mt -65.93 171.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.33 152.15 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 27.3 t0 -63.02 106.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.98 16.59 9.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.45 120.89 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.74 117.88 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.456 HD13 ' CG2' ' A' ' 109' ' ' VAL . 18.7 mt -97.74 109.85 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -100.23 104.86 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.06 171.26 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.77 -129.56 33.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -105.34 -62.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.89 47.94 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.8 m -114.89 121.74 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 14.9 m -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.436 HG22 ' CD2' ' A' ' 15' ' ' LEU . 14.3 mt -125.55 132.17 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.0 tp -100.9 142.31 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 99' ' ' ILE . 77.7 t -106.64 117.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.56 130.24 51.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 19.8 m-85 -92.82 106.33 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.5 t -78.74 106.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.1 -68.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.54 170.95 22.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.78 5.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.03 -62.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.6 p 43.66 84.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -105.17 106.6 17.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 m -162.24 158.94 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.89 166.35 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 p -104.0 -57.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.1 109.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.66 -154.33 14.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.7 130.79 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.67 167.73 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 22.3 m 61.07 123.09 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.11 34.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 149.36 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.556 HD22 ' CE3' ' A' ' 67' ' ' TRP . 50.8 tp -91.62 115.91 28.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.401 ' NH2' HG21 ' A' ' 112' ' ' VAL . 10.2 ttp180 -114.1 104.43 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' HG21 ' A' ' 107' ' ' ILE . 79.2 mt -90.46 108.57 19.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.05 124.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -82.22 89.3 6.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.59 -29.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.4 mttm -138.94 177.04 8.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.76 -170.2 25.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.24 4.17 48.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -39.92 114.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.85 -1.21 25.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.23 158.7 16.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.87 146.53 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -130.92 172.65 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.1 145.42 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CE1' HD13 ' A' ' 46' ' ' ILE . 79.4 m-85 -146.34 157.58 43.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -78.5 162.44 65.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 131.36 14.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.66 15.44 40.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.37 105.44 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 m -60.94 129.14 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mt -114.72 103.7 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -82.29 109.71 16.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 56.3 t -96.41 118.34 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.97 -149.81 5.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -106.13 -22.17 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 7.8 pt -115.72 136.76 51.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.3 m -77.46 -26.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 41' ' ' VAL . 4.1 mpt_? -31.45 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -95.71 63.49 1.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 71.8 m-20 -169.13 159.12 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -80.0 -44.99 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 29' ' ' TYR . 35.2 mt -131.45 138.91 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -130.86 138.83 50.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.422 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 10.8 mt -115.75 141.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 65.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 2.5 t70 -114.84 -10.33 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 82.43 -52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.57 -20.2 5.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 8.0 mt -95.31 142.78 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.37 154.91 20.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.414 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 68.7 p -39.37 -47.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 69.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -71.61 -65.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -150.75 171.83 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' N ' HD22 ' A' ' 72' ' ' LEU . 15.6 ptt180 -133.51 140.67 47.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 13' ' ' LEU . 13.2 mt -108.06 143.41 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -153.58 170.21 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.363 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 1.2 t -128.13 156.39 42.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.99 157.85 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.18 51.29 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.81 43.15 38.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -150.49 167.44 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CE3' HD22 ' A' ' 13' ' ' LEU . 94.2 m95 -111.28 143.32 42.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.04 145.09 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.4 148.15 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 89' ' ' THR . 2.7 tt0 -142.63 133.53 25.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.29 112.99 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -73.41 58.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.08 47.45 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 73.7 p -39.44 -90.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -170.32 -56.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -76.48 -47.6 22.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 147.01 7.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 m -93.94 150.57 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 83' ' ' ASN . 46.7 mt -124.94 140.75 52.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' SER . 19.8 tp -125.1 103.93 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.7 m-80 66.94 -69.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -162.69 58.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' C ' HD21 ' A' ' 79' ' ' LEU . 4.8 t30 -173.99 133.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.17 120.66 21.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.19 174.08 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.86 150.74 69.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -62.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.78 -28.4 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 2.7 m -96.46 148.82 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.6 p -125.35 142.03 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.65 156.8 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.49 124.44 38.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.53 156.53 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.65 151.33 22.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -65.63 110.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.94 12.89 26.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.82 122.16 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 t -91.65 124.25 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.94 110.21 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -99.79 105.77 17.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.3 166.78 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.58 -136.96 39.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -91.94 -76.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -122.56 55.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.0 m -118.56 126.21 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 17.4 m -127.55 133.12 49.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 15' ' ' LEU . 36.6 mt -119.44 140.45 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 tp -109.45 125.36 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 75.8 t -89.94 120.27 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.69 52.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.8 m-85 -99.66 106.92 18.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.401 HG21 ' NH2' ' A' ' 14' ' ' ARG . 10.3 t -89.86 109.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 148.17 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.76 164.21 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.82 3.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.3 t -174.24 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.9 t -113.47 107.65 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -167.39 148.75 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.966 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -128.51 149.54 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.42 109.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.06 -57.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -66.72 114.13 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.96 114.98 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -170.85 131.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -87.13 -11.5 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 88.2 m -130.12 119.07 18.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.97 42.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -72.91 145.3 46.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -92.02 110.53 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' NH2' HG22 ' A' ' 112' ' ' VAL . 24.8 ttp180 -107.51 112.41 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD2' HG22 ' A' ' 107' ' ' ILE . 77.9 mt -92.36 107.85 19.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.98 125.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 84.0 m-85 -83.29 90.28 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -74.12 -27.52 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -138.4 -174.06 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -171.05 41.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.2 Cg_endo -74.98 -23.61 13.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 1.4 mtt180 -93.2 6.47 47.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.72 116.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.15 -5.04 26.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.08 157.98 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.61 134.55 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.35 170.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -147.27 141.06 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -138.48 167.02 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -86.65 163.1 42.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 124.7 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.76 11.71 36.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -110.32 120.31 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.9 m -74.77 132.62 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.72 96.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.43 121.23 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 27.4 t -109.94 120.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.27 -149.9 5.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 49' ' ' LYS . 1.1 ttt180 -102.05 -43.57 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 18.6 pt -90.28 144.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.25 -35.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.0 105.44 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -61.0 0.65 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -100.31 147.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -52.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 15' ' ' LEU . 58.4 mt -97.67 142.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 40' ' ' ILE . . . -153.25 119.28 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 21' ' ' PRO . 1.7 mt -106.05 121.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 12.3 mmmm -85.28 62.15 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 12.6 t0 -102.2 1.13 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 78.27 -59.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.34 -25.49 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -94.35 153.09 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -116.8 155.64 28.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 22.0 p -36.79 -57.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 73.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -75.41 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -156.04 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -137.0 140.32 42.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.0 mt -105.27 139.15 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 178.45 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 3.1 t -139.32 139.06 37.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.49 -153.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -39.0 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.7 46.26 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -153.99 166.21 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 81.9 m95 -112.87 146.78 38.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.02 152.49 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.78 143.68 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.34 126.03 22.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 73' ' ' GLY . 44.2 t0 -83.62 105.94 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.92 60.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.82 58.87 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 10.4 p -56.05 -177.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -61.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -90.86 -59.45 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.07 168.99 15.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.434 ' CG2' HD21 ' A' ' 58' ' ' LEU . 39.7 m -109.29 139.9 43.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.0 mt -113.26 140.9 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' SER . 27.6 tp -127.26 106.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.2 m-80 62.86 -76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -153.6 61.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -175.43 138.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.05 120.4 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.1 mt -64.54 170.32 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.6 153.97 81.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -38.3 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -91.83 34.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -155.61 145.55 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 96.2 p -124.6 126.37 45.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.18 144.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.1 116.73 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.84 162.92 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -149.0 153.77 25.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.8 OUTLIER -70.04 106.08 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.1 17.05 7.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -91.75 141.75 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.61 119.15 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.433 HD12 ' CG2' ' A' ' 109' ' ' VAL . 18.8 mt -100.31 105.33 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -96.01 105.5 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.22 161.74 26.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.29 -134.02 18.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.51 -64.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -137.34 49.3 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.5 m -113.45 115.96 28.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.2 m -116.08 134.96 54.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.432 HG22 ' CD2' ' A' ' 15' ' ' LEU . 23.3 mt -120.6 131.37 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.56 143.9 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.433 ' CG2' HD12 ' A' ' 99' ' ' ILE . 65.1 t -109.6 113.49 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.01 133.35 54.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.4 m-85 -92.1 106.86 18.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.421 HG22 ' NH2' ' A' ' 14' ' ' ARG . 25.8 t -92.79 107.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -94.55 -64.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.97 39.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 120.72 6.18 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.436 1.756 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.08 162.03 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.51 160.1 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -137.65 162.23 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -81.96 161.9 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.07 -132.12 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -172.39 131.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -95.71 101.64 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.68 -99.86 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 ptp -53.62 162.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.16 178.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 m 60.96 117.91 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.95 139.22 24.16 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.645 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -57.75 154.51 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 17.8 tp -91.18 110.6 21.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.82 99.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.69 114.18 25.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.12 125.0 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 18.4 m-85 -83.44 90.1 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 m -76.14 -31.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 15.1 mttt -134.48 -175.16 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 87.81 -172.82 42.77 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.45 20.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.764 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.3 mtp85 -98.04 3.18 49.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 117.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.13 1.34 33.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.13 158.72 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.04 138.56 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.79 168.35 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.89 137.56 22.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' O ' ' OG ' ' A' ' 12' ' ' SER . 98.7 m-85 -138.55 151.62 47.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -69.51 162.78 64.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.529 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.02 132.43 15.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.62 8.16 61.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 116.68 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.6 m -68.1 118.35 11.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mt -103.57 94.73 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -79.55 105.22 10.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 45.3 t -96.2 125.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.42 -155.04 6.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.3 -41.87 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 55' ' ' THR . 3.9 pt -91.23 140.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.86 -37.62 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 123.66 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 47.28 68.09 1.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 34.3 m-20 -173.81 135.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -36.37 81.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mt -138.84 142.21 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.91 117.4 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 4.6 mt -108.81 122.3 63.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -90.37 68.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 6.1 t70 -109.55 -4.7 16.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 82.27 -58.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -23.42 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 13.7 mt -93.48 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 166.53 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 40' ' ' ILE . 55.6 p -45.54 -56.94 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -112.47 67.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.2 t-160 -65.31 -67.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -147.93 172.62 13.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -135.41 129.07 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.33 137.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.78 168.15 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.01 171.92 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.27 89.85 2.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.35 -72.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 34.51 1.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.15 165.24 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.57 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 97.3 m95 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.87 155.37 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -126.49 147.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -140.35 128.05 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -85.73 105.36 16.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -72.4 57.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.21 50.42 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 88.5 p -39.28 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.0 -56.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.16 -32.2 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.94 162.21 15.25 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -107.7 147.7 30.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.65 133.04 56.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' SER . 29.5 tp -117.96 109.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 60.39 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 4.7 t -144.85 61.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -179.34 142.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.45 123.75 28.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.47 -176.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.88 144.24 31.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.54 2.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 89' ' ' THR . 36.5 mt-10 -90.99 34.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 88' ' ' GLU . 67.7 m -158.13 146.95 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.6 p -123.26 122.62 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.89 148.98 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -89.68 114.24 25.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.41 147.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -120.93 -167.57 13.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.43 121.93 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.04 30.56 46.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.37 120.26 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.8 120.94 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 109' ' ' VAL . 33.6 mt -103.94 109.59 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -98.65 104.87 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.02 161.82 26.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.62 -140.74 32.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.597 1.186 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -92.88 -69.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLY . 96.6 m-85 -124.85 46.83 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -115.52 123.11 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 16.5 m -127.59 134.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.6 mt -118.38 140.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tp -108.73 131.19 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.474 ' CG2' HD13 ' A' ' 99' ' ' ILE . 58.6 t -97.64 116.96 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.02 121.54 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.479 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 11.4 m-85 -83.4 108.21 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 24.7 m -88.63 141.75 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 110.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 161.99 29.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.73 26.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -45.85 -59.6 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m 53.0 85.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 164.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -154.63 153.99 32.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.39 124.03 7.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -104.45 136.03 44.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -96.05 116.95 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.68 121.78 7.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.28 149.76 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.25 -5.16 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 13.6 m -136.71 115.28 10.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.16 26.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.637 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.71 154.14 15.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' CZ3' ' A' ' 67' ' ' TRP . 17.7 tp -91.11 110.58 21.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.068 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -105.42 98.84 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 46' ' ' ILE . 78.9 mt -86.8 109.91 19.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 57.9 t -99.67 125.99 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 5.7 m-85 -85.02 88.03 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -75.07 -27.49 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -141.93 173.75 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.61 -171.51 23.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.6 20.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.13 6.84 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.22 117.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.224 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 5.79 33.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.41 161.22 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.06 126.59 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -113.23 170.52 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -148.73 134.62 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -135.23 148.79 49.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -70.71 164.52 54.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 137.23 21.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 15.78 63.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.14 104.32 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.1 m -61.25 122.96 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.2 mt -107.24 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 104.97 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.1 t -92.49 118.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.05 -153.12 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.436 1.085 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -109.62 -36.14 6.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 55' ' ' THR . 4.6 pt -96.52 135.03 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.69 -38.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -49.78 119.76 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 50.36 67.33 1.92 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 33.6 m-20 -173.32 129.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.14 -33.41 75.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 15' ' ' LEU . 68.3 mt -137.89 139.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.42 120.3 19.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 53' ' ' ILE . 8.0 mt -110.53 132.6 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 71.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.2 t70 -120.92 -1.69 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 79.0 -58.11 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.06 -24.93 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 48' ' ' ILE . 6.1 mt -94.46 141.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.32 159.35 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.462 ' CB ' HG12 ' A' ' 40' ' ' ILE . 81.5 p -39.21 -60.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -107.68 68.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.493 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.2 t-160 -70.65 -66.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -152.96 170.86 19.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -134.98 143.13 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 13' ' ' LEU . 17.5 mt -109.16 139.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.42 160.72 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -116.97 141.18 48.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -110.3 -153.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.5 m -44.36 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 37.59 48.74 1.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -156.28 165.14 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.579 ' CZ3' HD22 ' A' ' 13' ' ' LEU . 95.1 m95 -114.15 145.24 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.74 152.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -124.47 147.03 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.27 127.11 18.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -85.88 110.45 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -76.77 54.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.48 68.11 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.493 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 28.9 p -80.99 50.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' SER . 0.2 OUTLIER 34.89 52.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -179.76 -61.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.14 161.95 14.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 m -111.66 141.24 45.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 83' ' ' ASN . 37.3 mt -107.7 140.47 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' SER . 16.6 tp -127.24 107.64 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.9 m-80 66.25 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.7 m -163.37 56.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 79' ' ' LEU . 1.3 t-20 -170.14 136.58 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.93 118.73 21.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' CB ' ' A' ' 80' ' ' LEU . 39.8 mt -65.52 169.17 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.51 145.46 36.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.76 9.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.78 7.06 47.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.2 m -136.01 135.91 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.23 127.35 55.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.13 151.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 112.48 21.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.4 mt -50.17 164.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.82 154.56 25.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.93 114.17 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.94 16.02 24.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.91 125.12 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.58 123.92 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 109' ' ' VAL . 27.3 mt -104.11 106.53 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -97.02 104.97 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.06 161.57 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.86 -131.5 15.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -101.69 -64.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -131.34 49.02 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.2 m -116.96 118.61 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -121.4 133.75 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.7 mt -120.75 127.1 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.6 tp -96.15 136.99 35.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 99' ' ' ILE . 77.7 t -101.01 121.2 51.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.07 122.83 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.44 111.42 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.637 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 20.0 m -92.31 128.69 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 97.37 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 55.27 -163.44 4.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.07 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.8 m -157.12 121.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 m -80.76 113.01 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -107.91 154.17 21.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 61.85 160.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.27 -107.32 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.61 150.99 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.29 -55.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.93 -156.48 9.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -166.2 170.97 12.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.25 -51.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 19.8 m -126.32 114.89 23.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.58 42.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -74.43 147.05 42.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.593 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.67 110.62 21.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -112.37 108.92 18.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -89.81 115.43 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.63 124.82 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 56.3 m-85 -86.61 90.31 8.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -77.86 -30.16 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 1.9 mmtt -132.97 -169.54 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 79.42 -169.48 53.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -25.14 12.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 8.3 mtp180 -87.07 0.32 55.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -39.61 114.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.44 -3.62 29.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -102.24 156.3 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.51 150.92 28.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mt -138.41 168.74 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -148.26 143.09 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -141.43 162.76 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.49 166.17 36.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.97 130.6 13.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.97 19.01 32.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -117.56 111.83 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -67.47 132.42 47.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.97 94.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -75.66 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 90.9 t -93.81 120.02 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.42 -150.48 5.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -104.8 -22.12 13.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 pt -106.89 154.81 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.73 -34.13 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.73 -88.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -86.63 69.63 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 43' ' ' GLY . 5.6 m-80 177.95 142.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -70.16 -34.05 72.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.4 mt -139.53 144.45 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.45 149.18 51.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 53' ' ' ILE . 3.4 mt -134.97 119.83 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.93 69.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 61.2 t0 -114.98 -9.43 12.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 81.89 -57.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.48 -21.87 3.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 48' ' ' ILE . 9.5 mt -91.99 143.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.23 168.9 8.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.2 p -49.96 -52.19 35.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -115.57 62.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.0 t60 -60.79 -65.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -149.37 172.74 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -133.5 131.68 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.7 mt -104.97 132.02 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 168.41 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.524 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 6.1 t -128.2 135.35 49.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.83 162.43 38.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.89 52.87 7.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.18 41.81 8.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -153.51 169.51 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.593 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 82.1 m95 -111.81 141.49 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.41 158.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -123.8 146.13 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -141.96 124.31 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.3 t0 -83.57 105.58 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -69.67 60.63 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.17 46.1 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.571 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.1 p -49.33 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -78.73 -65.62 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.74 174.89 14.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 58' ' ' LEU . 38.5 m -116.73 144.6 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 83' ' ' ASN . 31.1 mt -121.71 130.89 53.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' CB ' HD22 ' A' ' 85' ' ' LEU . 8.8 tp -123.25 104.51 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . 57.8 m-80 51.26 80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ASN . 1.6 m 37.51 48.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.42 ' C ' HD21 ' A' ' 79' ' ' LEU . 6.1 t30 -154.68 132.09 11.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.59 126.14 34.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 HD22 ' CB ' ' A' ' 80' ' ' LEU . 37.6 mt -75.27 -175.33 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 150.32 53.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.84 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -92.89 31.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.8 m -152.41 147.5 26.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.5 p -128.33 120.31 26.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.01 159.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -97.08 117.26 30.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.34 168.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.12 152.93 24.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.3 t70 -68.37 114.03 6.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 0.803 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.05 13.0 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -88.16 124.33 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.68 114.49 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 109' ' ' VAL . 28.4 mt -95.47 110.0 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.38 105.02 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.96 163.73 22.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.35 -140.17 33.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -81.9 -70.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.2 53.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.458 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -110.83 120.53 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 13.1 m -117.32 131.22 56.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.22 128.58 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 tt -96.14 132.93 41.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 99' ' ' ILE . 44.1 t -95.32 115.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.71 134.02 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -96.54 111.89 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.9 t -97.39 110.42 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 t -98.72 77.08 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 86.44 -161.48 33.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -178.82 4.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 m -95.64 98.25 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -84.86 131.33 34.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -107.55 149.94 27.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -176.89 123.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -87.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.97 168.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.69 140.92 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.26 167.63 46.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 mmt -111.58 118.05 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.01 -33.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 3.5 m -72.28 113.29 19.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.19 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -63.04 144.94 56.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.76 110.58 21.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.2 116.17 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 HD12 ' CD1' ' A' ' 46' ' ' ILE . 81.5 mt -99.04 109.56 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -100.95 126.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 18.8 m-85 -85.04 88.02 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.99 -31.52 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 23.0 mttt -134.31 -173.79 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.62 -170.99 41.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.67 15.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.01 4.87 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -41.26 114.63 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.95 0.51 24.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.58 160.89 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.49 137.42 14.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.54 167.91 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -148.91 147.44 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.9 175.03 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.15 164.4 18.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 126.14 9.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.5 9.48 43.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.15 119.11 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -73.76 129.61 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.51 95.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 5.1 mtm180 -78.76 109.1 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 t -95.76 118.85 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.37 -154.99 6.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -102.98 -32.19 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' ND2' ' A' ' 44' ' ' ASN . 31.1 pt -102.7 143.56 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.9 m -71.04 -35.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -70.72 113.22 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.95 -56.39 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 40' ' ' ILE . 2.8 m-80 -90.62 144.33 25.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -61.85 -64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 15' ' ' LEU . 59.3 mt -99.61 139.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.22 135.72 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 53' ' ' ILE . 9.1 mt -125.2 116.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.8 71.81 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 4.0 t0 -120.59 -2.24 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 77.83 -55.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.3 -23.97 1.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.442 ' CD1' HG23 ' A' ' 48' ' ' ILE . 5.8 mt -96.8 139.91 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.55 161.32 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -42.17 -54.27 3.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 70.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.4 t-160 -72.55 -64.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -155.8 172.71 17.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -137.07 143.15 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.6 mt -104.38 134.4 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -141.41 167.32 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.405 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -123.83 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -109.72 -153.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.76 93.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 39.41 47.34 2.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -155.99 164.88 37.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.545 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 91.5 m95 -114.5 145.25 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.44 155.69 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -124.65 143.03 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -142.02 119.78 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -77.15 110.17 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -69.24 64.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 36.72 45.22 1.01 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.3 t -63.89 175.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.018 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 51.56 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.39 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 78' ' ' THR . . . 104.57 -4.0 43.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' GLY . 58.2 m 57.93 153.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.733 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 83' ' ' ASN . 53.5 mt -127.05 141.86 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 82' ' ' SER . 37.8 tp -126.77 103.41 7.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.4 m-80 66.37 -69.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -160.84 53.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' HD21 ' A' ' 79' ' ' LEU . 20.4 t-20 -165.19 138.69 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.39 122.22 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 77' ' ' GLY . 76.8 mt -63.94 161.07 16.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.57 158.54 64.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.06 -26.71 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.3 m -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.7 p -126.8 145.05 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.57 148.42 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -89.78 123.0 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.4 mt -56.18 174.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.64 154.75 25.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.69 116.18 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.05 12.84 38.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.17 121.9 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -92.41 123.12 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 109' ' ' VAL . 21.3 mt -104.51 106.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -99.49 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 167.81 14.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.78 -119.21 8.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -113.71 -69.28 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.285 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.36 49.18 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -115.9 124.38 50.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 16.9 m -123.29 138.41 54.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 15' ' ' LEU . 11.6 mt -125.04 128.3 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.481 HD22 ' ND2' ' A' ' 110' ' ' ASN . 1.0 OUTLIER -95.87 131.57 42.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 99' ' ' ILE . 48.6 t -97.84 116.64 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.481 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.05 135.28 53.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -98.71 106.94 19.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.05 116.95 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.81 84.9 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.08 156.19 8.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.06 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -148.16 94.81 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.938 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.0 p -84.22 -12.04 55.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m 51.97 100.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.781 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -134.97 167.82 20.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.59 -100.62 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.03 150.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.64 143.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.0 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mtm -178.14 107.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 0.726 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -121.78 84.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 18.7 m 65.31 118.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.09 42.42 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -72.68 141.31 48.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.079 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -91.69 110.66 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -111.5 117.0 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 76.9 mt -96.9 108.38 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.9 t -99.94 124.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 42.7 m-85 -83.66 89.58 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.35 -31.55 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -136.18 -172.65 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 85.69 -168.69 41.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.01 5.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 4.2 mtp85 -83.71 -0.08 49.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -39.23 117.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.01 -5.31 30.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.37 159.09 15.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.0 149.86 27.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -135.38 171.29 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 6.9 t70 -147.05 150.01 34.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 28' ' ' ASP . 38.5 m-85 -147.64 154.43 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 162.98 69.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.0 128.61 11.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.67 16.54 28.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.25 120.26 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -76.06 122.01 23.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.524 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.8 mp -104.48 105.42 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -86.01 104.06 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 53.4 t -91.88 123.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.31 7.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -97.2 -26.24 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.598 ' CD1' ' CG2' ' A' ' 55' ' ' THR . 40.7 pt -106.44 166.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG12 ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -101.44 -26.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' VAL . 2.8 mpt_? -35.75 -90.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -96.59 62.14 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' THR . 79.8 m-20 -166.37 140.56 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -68.74 -44.88 72.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.1 mt -125.34 140.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -128.6 128.61 44.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.479 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 3.9 mt -115.14 127.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.56 69.85 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 29.0 t0 -112.76 -6.78 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 78.77 -57.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.36 -21.9 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 63.1 mt -89.98 142.45 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.65 157.72 17.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.598 ' CG2' ' CD1' ' A' ' 40' ' ' ILE . 1.2 m -42.01 -50.94 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 66.66 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.0 t-160 -68.64 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.643 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.69 172.14 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -131.48 146.13 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ILE . 73.7 mt -113.15 135.03 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.02 168.56 20.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.504 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -128.75 142.22 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -152.25 155.08 37.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.21 58.67 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.24 39.81 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -150.32 167.47 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 83.3 m95 -112.03 146.46 37.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.005 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.9 157.18 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 tt -128.1 144.87 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -142.32 125.39 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -83.34 109.39 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.55 59.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.5 48.54 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.9 p -39.52 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.59 -57.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 77' ' ' GLY . 8.8 p30 -83.36 -39.88 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 118.29 161.08 11.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.8 m -105.93 147.56 28.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 83' ' ' ASN . 37.6 mt -118.87 139.97 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.8 tp -125.29 104.41 8.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 75.9 m-20 65.13 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -159.4 60.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' C ' HD22 ' A' ' 79' ' ' LEU . 6.7 t30 -175.12 135.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.15 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.2 mt -65.77 170.55 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.34 148.63 61.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.57 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -90.6 31.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.2 m -153.59 143.34 21.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.4 p -118.69 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.84 149.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.11 135.9 33.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.5 mt -77.3 171.18 15.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.2 155.6 26.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t70 -69.23 112.67 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.8 13.44 21.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -88.96 124.3 34.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.97 126.73 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.411 HD11 ' CG2' ' A' ' 109' ' ' VAL . 21.7 mt -108.01 106.35 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -96.04 105.33 17.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 164.17 21.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.98 -142.59 38.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -140.97 50.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 3.4 m -110.38 116.73 31.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.9 m -115.86 134.35 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.407 HG21 ' CD2' ' A' ' 15' ' ' LEU . 43.0 mt -120.84 135.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.73 138.66 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.411 ' CG2' HD11 ' A' ' 99' ' ' ILE . 53.1 t -102.72 115.99 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.48 140.55 52.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 15.3 m-85 -103.8 107.55 18.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.58 108.8 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -101.34 88.59 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.42 171.9 39.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.14 33.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.85 119.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.958 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 t -91.96 84.22 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -169.36 147.88 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 m -83.25 166.48 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.6 -145.82 19.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -69.72 168.32 15.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.013 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.38 154.72 48.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.0 -173.45 47.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.27 95.61 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -91.45 -171.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 56.2 m -51.0 125.5 23.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.3 42.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -71.83 144.82 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -93.18 111.47 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -113.48 115.76 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 46' ' ' ILE . 79.1 mt -97.17 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -101.41 125.55 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -83.28 89.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -74.17 -31.17 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -134.68 -170.87 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 -172.77 47.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.15 18.11 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 3.87 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.4 115.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.99 -2.05 24.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.03 156.2 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.1 138.86 17.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.9 170.44 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -149.12 147.35 28.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -145.26 171.56 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.57 165.19 18.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.4 Cg_endo -74.98 130.01 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.81 13.14 44.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -111.71 109.24 19.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.5 m -66.55 123.11 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.26 94.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -78.4 107.16 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.3 t -91.84 118.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.26 -146.82 5.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.2 ttt180 -116.58 -10.26 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.9 pt -129.59 122.81 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 42' ' ' ARG . 4.4 m -56.45 -28.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -32.99 -89.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -99.4 59.09 0.82 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 77.6 m-20 -164.74 136.04 4.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -35.27 77.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 15' ' ' LEU . 74.2 mt -139.43 134.71 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -125.2 137.41 54.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 6.3 mt -122.84 131.36 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.34 68.32 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 7.1 t0 -115.82 -9.04 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 79.3 -55.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.45 -24.18 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -93.72 140.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 157.49 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.3 p -37.94 -53.06 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -116.13 69.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.2 t60 -69.53 -64.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.76 172.33 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -133.84 145.59 49.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.83 134.17 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -142.67 166.86 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.1 t -128.78 139.41 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -144.28 156.05 44.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.9 62.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 39.82 40.38 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.66 165.69 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 88.3 m95 -113.59 143.36 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.27 153.84 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.9 145.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.34 123.34 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLY . 19.6 t0 -82.77 107.07 15.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.6 61.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 37.84 42.91 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.618 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.2 p -48.97 162.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.13 66.86 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 164.56 -49.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.19 145.68 10.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.4 m -98.41 147.74 24.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.35 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 83' ' ' ASN . 45.2 mt -120.68 141.85 50.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 tp -127.16 103.54 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 56.4 m-80 66.91 -68.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' LEU . 5.0 m -163.06 57.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' C ' HD22 ' A' ' 79' ' ' LEU . 10.7 t30 -172.01 133.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.13 121.53 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.2 mt -65.93 165.65 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.56 152.68 62.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -40.39 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.3 12.54 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -139.38 141.79 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.8 125.99 38.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.62 160.46 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.82 122.21 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.1 mt -58.38 167.35 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 97' ' ' ASP . . . -155.22 153.41 24.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -66.15 106.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.34 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 6.3 m-20 -93.07 125.23 37.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.85 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 109' ' ' VAL . 20.8 mt -103.83 107.86 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -98.42 105.91 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.94 162.19 24.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.68 -126.03 10.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.88 -68.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -130.45 50.65 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.3 m -115.46 120.46 39.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -120.04 135.74 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 15' ' ' LEU . 32.3 mt -122.42 130.5 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.48 HD22 ' ND2' ' A' ' 110' ' ' ASN . 0.8 OUTLIER -97.05 137.91 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.459 ' CG2' HD13 ' A' ' 99' ' ' ILE . 54.7 t -102.89 116.77 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.48 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.53 135.32 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.3 m-85 -98.75 106.72 19.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -88.53 106.65 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 -54.73 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.84 -170.49 42.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.1 42.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.5 t -105.25 124.4 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -144.86 99.5 3.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.6 147.91 43.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.98 137.89 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -167.28 35.81 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.34 140.3 33.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.57 149.46 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.32 140.08 2.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.69 127.81 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -99.38 -7.31 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.447 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 7.4 m -90.23 119.22 69.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 146.42 32.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -66.39 150.91 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD22 ' CZ3' ' A' ' 67' ' ' TRP . 22.4 tp -91.67 112.54 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -111.62 102.86 11.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 46' ' ' ILE . 70.4 mt -88.88 112.22 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.419 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 39.0 t -105.68 125.08 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -85.22 91.63 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 m -76.0 -28.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -134.18 -175.01 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.26 -176.49 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.05 20.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' NH2' ' CG2' ' A' ' 46' ' ' ILE . 6.4 mtm180 -100.03 3.76 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -39.6 121.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.44 3.85 35.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.72 154.2 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.26 145.4 25.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -130.64 174.04 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -148.57 142.22 25.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CG ' HG12 ' A' ' 35' ' ' ILE . 94.3 m-85 -146.17 152.01 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.68 164.35 60.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' CB ' ' HB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 129.03 11.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.58 15.94 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.33 113.65 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -67.62 122.78 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 HG12 ' CG ' ' A' ' 29' ' ' TYR . 2.7 mp -108.34 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -75.94 118.47 18.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 98.9 t -107.06 117.83 53.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.18 -154.44 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -104.91 -28.99 10.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.42 HG12 ' CB ' ' A' ' 55' ' ' THR . 5.9 pt -106.54 136.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 47' ' ' ALA . 4.4 m -65.21 -36.16 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -71.13 109.95 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.81 -52.03 0.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -103.23 152.17 21.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.59 -62.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 15' ' ' LEU . 39.1 mt -93.94 137.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -135.87 140.16 43.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 2.8 mp -127.98 124.43 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 mmpp? -75.19 66.34 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -132.01 109.88 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.41 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -56.44 -46.1 88.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -80.67 167.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.81 172.3 13.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.42 ' CB ' HG12 ' A' ' 40' ' ' ILE . 44.2 p -73.36 109.04 6.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.0 mttt 79.77 28.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.6 t60 -39.05 -57.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -151.32 171.89 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' N ' HD23 ' A' ' 72' ' ' LEU . 14.4 ptt180 -134.2 133.28 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' A' ' 13' ' ' LEU . 70.7 mt -101.54 136.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 173.46 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -122.27 136.45 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 65' ' ' GLY . 9.0 t0 -102.16 -151.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.32 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 41.33 47.38 4.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.574 1.171 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -156.91 165.53 35.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CZ3' HD22 ' A' ' 13' ' ' LEU . 97.0 m95 -108.53 143.11 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.88 155.08 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -123.38 147.71 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -141.19 126.29 18.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.28 111.37 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -73.34 57.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.35 45.21 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.607 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 t -57.98 149.72 22.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -68.84 74.67 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' SER . 2.1 m-20 160.5 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.36 156.83 9.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.44 ' CG2' HD21 ' A' ' 58' ' ' LEU . 7.4 m -110.84 144.08 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 83' ' ' ASN . 29.8 mt -115.92 145.61 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' SER . 14.4 tp -127.18 104.11 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 41.0 m-80 68.14 -67.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 11.5 p -165.11 43.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' C ' HD23 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -156.19 134.25 11.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.79 122.8 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.73 176.76 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.6 147.33 63.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -35.14 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -91.51 23.56 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.0 m -153.15 140.1 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.12 125.35 47.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.15 148.56 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 15.2 p-10 -84.26 113.71 21.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.75 164.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.2 161.06 27.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.25 100.17 3.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.16 19.88 6.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.34 123.62 33.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.19 123.74 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 109' ' ' VAL . 41.4 mt -103.81 104.1 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -94.89 105.47 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' CD1' HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.3 164.15 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -132.04 24.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt-10 -95.03 -69.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -131.78 50.54 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.3 m -114.33 116.43 28.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 m -117.55 132.15 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.3 mt -119.1 124.25 72.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.43 HD22 ' ND2' ' A' ' 110' ' ' ASN . 2.3 tt -92.32 136.27 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 99' ' ' ILE . 59.4 t -101.51 121.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.43 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -128.37 127.8 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -89.41 108.89 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 50.0 t -88.13 110.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.38 38.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.54 162.6 34.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.35 4.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.2 p -80.9 114.55 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.92 145.97 47.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 110.967 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -148.84 162.37 39.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.73 151.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.62 -141.18 15.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 61.65 112.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.04 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.26 126.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.77 -120.4 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -157.17 147.86 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m -98.69 155.65 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.409 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 2.8 m 61.96 116.93 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.33 35.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.64 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -67.08 152.63 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 24.6 tp -91.47 110.03 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -104.32 101.75 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 46' ' ' ILE . 72.2 mt -88.72 108.84 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -100.43 125.26 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 48' ' ' ILE . 9.1 m-85 -82.64 90.34 6.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 m -76.98 -29.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -136.26 -177.32 4.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.91 -173.24 39.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -75.02 -14.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.65 7.44 42.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -44.13 114.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.24 4.33 25.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.16 165.95 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.08 142.13 15.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.82 172.95 10.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -148.56 140.18 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -143.32 145.54 32.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.31 164.58 58.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.15 13.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.27 14.23 42.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -112.29 105.59 13.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.043 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -62.26 122.5 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.07 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -85.34 107.8 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 24.0 t -98.89 124.96 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.49 -153.79 6.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -103.0 -38.99 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.6 pt -100.74 137.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.67 -35.47 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -42.03 106.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.86 62.73 5.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -167.53 132.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.52 -40.12 96.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 15' ' ' LEU . 45.4 mt -135.99 134.92 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.93 113.92 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 mt -101.92 104.39 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 61.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.3 t0 -90.05 -77.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 162.4 -59.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.49 -15.9 19.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.02 158.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.26 169.55 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.7 p -46.61 -62.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.9 t-160 -65.41 -66.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 78' ' ' THR . 0.2 OUTLIER -148.49 172.49 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -134.5 132.93 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.4 mt -106.49 133.21 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -115.66 162.2 17.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.2 t0 -121.43 94.53 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -141.76 34.39 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 62' ' ' SER . 15.6 m120 -142.71 164.42 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.469 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 98.0 m95 -109.42 136.26 49.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.47 149.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -119.48 147.58 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -139.3 128.99 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.56 104.91 16.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -72.07 58.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.82 46.19 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.1 p -52.08 160.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.91 62.8 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.64 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.06 153.39 15.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.444 ' CG2' HD21 ' A' ' 58' ' ' LEU . 11.2 m -106.68 147.96 28.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -120.61 137.25 54.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 85' ' ' LEU . 12.4 tp -121.5 110.6 16.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 60.07 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -144.95 60.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -177.61 143.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.71 122.68 29.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 80' ' ' LEU . 87.5 mt -64.35 166.75 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.72 147.3 45.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.03 2.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.57 15.0 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -140.83 138.03 33.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.87 126.16 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.76 164.71 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 8.6 p30 -94.94 112.73 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.1 mt -47.12 156.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.96 158.7 24.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 113.55 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.27 17.77 19.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.67 121.12 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.2 t -92.51 122.82 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 109' ' ' VAL . 31.8 mt -103.55 102.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 104.63 16.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.6 161.17 28.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.53 -139.86 28.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -91.42 -64.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -131.94 41.41 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -108.1 123.57 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.3 m -128.24 136.72 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 15' ' ' LEU . 41.4 mt -122.84 135.68 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.5 tp -101.79 140.89 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 99' ' ' ILE . 75.4 t -106.29 111.77 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.19 125.03 46.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -84.4 110.21 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.64 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 31.0 m -94.25 118.52 40.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -54.96 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.69 -172.02 21.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.0 p -139.08 148.24 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 t -136.78 101.42 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -62.64 116.41 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -61.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.65 138.56 10.28 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -145.38 119.34 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 53.64 94.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -160.26 11.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 151.42 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.55 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 2.6 m -101.61 112.82 65.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.72 32.85 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -64.48 146.3 54.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -92.06 110.94 22.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.9 ttt180 -109.99 113.52 26.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 46' ' ' ILE . 78.3 mt -93.88 109.54 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 76.1 t -98.45 129.9 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.57 83.79 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.9 m -70.77 -32.18 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -135.72 -178.32 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.57 -171.67 27.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.4 14.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -100.18 11.14 40.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -43.4 114.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 1.89 19.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.49 163.15 12.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.68 141.06 16.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.81 170.9 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 1.1 p30 -148.78 148.85 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' CE2' ' HG2' ' A' ' 45' ' ' GLU . 65.6 m-85 -146.61 179.34 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 165.39 14.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.96 130.91 13.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 12.65 55.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -107.51 115.97 31.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -72.1 125.05 26.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.26 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.15 104.09 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 25.9 t -93.96 123.2 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.06 -155.29 6.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -102.15 -36.55 8.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 55' ' ' THR . 29.3 pt -99.94 144.81 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.7 m -70.25 -35.48 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -46.88 121.22 3.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.47 65.2 2.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -167.27 139.0 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.43 -34.64 65.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 15' ' ' LEU . 86.7 mt -141.15 139.81 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.34 143.17 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 HG23 ' CD1' ' A' ' 53' ' ' ILE . 13.3 mt -132.19 132.28 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -99.9 65.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.9 t70 -108.37 -9.86 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 83.6 -54.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.25 -30.28 5.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 48' ' ' ILE . 5.8 mt -86.05 168.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -135.3 -178.91 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 41.9 p -77.56 113.94 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 70.81 29.49 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.3 t60 -39.23 -50.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -157.62 167.33 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -130.62 142.2 50.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.72 131.62 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 167.4 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.3 t -127.64 138.53 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' ASN . 7.3 t70 -145.39 161.19 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.02 54.32 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.35 37.91 8.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.9 m120 -144.77 168.98 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 85.7 m95 -113.28 139.78 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.87 158.67 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -125.46 147.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.7 127.43 19.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.088 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -84.25 109.68 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -69.98 59.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.96 51.19 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 18.1 p -50.24 -96.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.46 -61.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -74.18 -44.63 52.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.33 158.44 15.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.1 m -103.65 146.27 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD21 ' C ' ' A' ' 83' ' ' ASN . 40.9 mt -116.02 143.34 45.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 82' ' ' SER . 14.0 tp -127.26 103.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 67.93 -67.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 36.6 t -164.36 46.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' C ' HD21 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -157.47 135.69 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.83 123.6 28.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.07 173.51 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.15 152.12 77.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.23 2.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.9 20.89 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.2 m -144.34 145.28 31.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -126.44 126.94 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.79 149.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -90.89 116.46 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 mt -50.4 178.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.5 149.77 16.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.1 t70 -63.85 108.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.28 12.06 20.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.48 121.39 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.82 124.36 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.417 HD13 ' CG2' ' A' ' 109' ' ' VAL . 28.8 mt -104.69 106.24 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.34 105.72 17.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.46 170.56 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.63 -124.88 22.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -109.03 -57.99 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -136.89 40.89 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -106.91 120.01 40.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 m -120.79 133.73 55.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.7 mt -122.61 127.6 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 tt -96.42 137.58 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 99' ' ' ILE . 54.1 t -98.57 116.07 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.99 135.24 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.7 m-85 -98.27 113.33 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 t -97.95 113.07 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -79.66 97.89 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.44 -170.67 50.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.75 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.23 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -76.72 145.54 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -131.17 77.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.22 167.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.42 88.89 2.08 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -172.55 120.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.016 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.54 134.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 120.85 0.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.32 113.78 25.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 0.725 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 m -48.93 -31.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 5.2 m -89.7 113.09 55.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.09 26.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -57.59 158.37 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -103.73 110.83 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -111.32 107.96 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.9 mt -91.17 109.3 20.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.06 126.28 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -84.28 88.04 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -71.83 -31.53 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 18.5 mttt -136.84 -170.93 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 88.59 -173.0 41.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -16.48 20.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -106.36 18.86 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.22 117.07 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.52 -2.48 24.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.58 157.73 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.33 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -130.57 174.23 10.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -149.03 146.4 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -143.93 175.21 10.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -93.84 163.35 24.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.04 127.07 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.79 38.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -111.79 108.06 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 0.784 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.4 m -61.55 128.48 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.96 94.73 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -77.93 108.73 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.487 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 79.3 t -96.53 120.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.35 -148.15 5.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -106.72 -25.89 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 23.3 pt -114.68 133.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.3 m -73.73 -26.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -29.93 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -97.83 59.4 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 80.1 m-20 -166.1 144.52 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -45.69 84.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -131.25 143.13 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.462 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -137.61 156.15 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -132.68 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 72.13 9.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' OD2' ' CA ' ' A' ' 52' ' ' GLY . 0.8 OUTLIER -145.84 118.97 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.8 -29.44 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' ' OD2' ' A' ' 50' ' ' ASP . . . -61.26 -23.11 61.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.6 mt -106.37 139.25 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.5 172.15 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -53.01 -48.37 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.21 58.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -56.54 -67.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -147.5 173.1 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' A' ' 70' ' ' GLN . 15.3 ttt-85 -132.54 137.06 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.09 134.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HG2' ' NH2' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -145.86 170.84 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.1 t -127.04 141.27 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -147.74 155.75 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.24 63.15 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.5 46.51 2.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -155.3 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 90.1 m95 -112.01 141.74 45.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.34 147.82 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -111.69 144.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' NE2' HD13 ' A' ' 72' ' ' LEU . 4.2 tt0 -135.47 120.29 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.25 107.2 18.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.69 58.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 33.66 44.37 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.6 p -45.98 171.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.0 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.63 -61.43 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.35 -174.25 32.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.1 m -125.62 122.43 36.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.435 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 83' ' ' ASN . 16.0 mt -95.78 146.28 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 82' ' ' SER . 23.3 tp -127.2 104.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.3 m-80 67.33 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 28.9 p -163.8 59.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.7 t-20 -174.78 136.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.57 117.22 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 13.9 mt -57.95 179.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -131.59 140.87 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -26.82 10.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.2 32.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.5 m -157.8 152.28 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.0 p -122.17 125.6 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -103.67 159.0 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.58 109.78 21.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.37 165.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.97 23.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 3.2 t0 -64.44 116.01 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.05 20.03 22.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -90.58 125.17 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.11 119.49 46.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 109' ' ' VAL . 13.3 mt -102.68 112.29 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -97.76 105.09 17.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -126.23 152.26 46.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.95 -135.3 14.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -100.41 -64.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -130.26 50.17 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.456 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -121.54 123.85 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 16.3 m -125.39 139.36 53.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 46.4 mt -122.29 139.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 tp -109.1 139.84 43.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.424 ' CG2' HD11 ' A' ' 99' ' ' ILE . 67.0 t -104.54 123.57 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.42 129.33 44.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.1 m-85 -91.84 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 t -93.01 141.63 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.98 77.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.7 173.18 39.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.13 149.27 41.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.58 145.0 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m 63.39 137.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.004 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -100.82 149.14 24.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.047 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.19 121.1 0.7 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.62 113.58 9.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.979 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -70.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.58 -145.65 8.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -154.48 136.36 14.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.6 4.96 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -140.06 112.81 7.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.1 23.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.646 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -56.73 154.6 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.576 HD23 ' CZ3' ' A' ' 67' ' ' TRP . 16.2 tp -90.93 110.14 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -108.89 101.79 10.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 46' ' ' ILE . 38.4 mt -90.26 120.45 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.98 124.86 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 42.2 m-85 -84.93 94.44 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 m -80.95 -24.84 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -134.78 -171.87 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 80.15 -173.47 54.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.95 -23.13 14.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.556 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -87.05 -2.93 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -36.13 116.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.12 -3.38 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.02 151.69 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -148.92 157.03 43.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -137.84 174.54 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -149.16 135.64 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' O ' ' OG ' ' A' ' 12' ' ' SER . 85.2 m-85 -139.16 145.24 39.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -70.76 165.46 46.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 134.58 18.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.4 14.16 54.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.0 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.0 m -68.25 130.02 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mt -115.32 100.59 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 100.96 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 8.8 t -90.46 123.96 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.19 -160.28 9.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -29.97 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 HG12 ' CB ' ' A' ' 55' ' ' THR . 2.7 pt -96.77 153.93 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' CG1' ' CB ' ' A' ' 47' ' ' ALA . 26.8 m -91.54 -38.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' VAL . 2.8 mtt180 -37.17 99.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' ASN . . . 82.86 -59.68 4.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' GLY . 1.4 m120 -39.74 135.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.22 -57.03 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 15' ' ' LEU . 23.9 mt -115.5 136.89 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -134.1 140.4 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 21' ' ' PRO . 6.1 mt -129.75 113.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -75.67 70.6 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 1.8 t0 -109.01 -81.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 161.54 -57.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.52 -19.26 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.5 mt -92.89 142.68 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -113.59 156.99 22.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' SER . 75.2 p -37.4 -57.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 69.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.641 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 2.9 t-160 -69.25 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.73 169.88 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -130.21 151.16 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 13' ' ' LEU . 46.0 mt -118.71 141.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.19 161.72 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 1.2 t -123.35 144.15 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.05 144.91 27.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.95 52.3 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.07 44.38 25.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 m-20 -149.41 165.47 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.576 ' CZ3' HD23 ' A' ' 13' ' ' LEU . 96.5 m95 -112.05 139.62 47.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.29 151.24 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.412 ' CD1' HD11 ' A' ' 99' ' ' ILE . 2.3 tt -121.59 146.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.03 124.0 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.68 106.76 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -71.79 59.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.78 54.43 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.641 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 95.6 p -69.61 -175.04 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -78.88 137.15 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 72.91 -59.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.14 165.89 11.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.4 m -102.56 145.39 29.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 83' ' ' ASN . 39.2 mt -116.3 142.02 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 82' ' ' SER . 15.0 tp -127.18 105.19 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 69.5 m-80 64.72 -72.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -158.52 64.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.407 ' C ' HD22 ' A' ' 79' ' ' LEU . 3.4 t30 178.68 136.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.82 120.66 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 80' ' ' LEU . 67.1 mt -65.14 177.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.82 75.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.69 2.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 31.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -152.65 143.46 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.5 p -127.84 129.49 47.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 t -111.0 163.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -97.47 113.82 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -47.63 152.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 152.87 23.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t0 -68.14 120.95 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.61 17.91 37.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.54 119.12 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.9 t -88.04 125.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 109' ' ' VAL . 46.9 mt -107.92 100.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.37 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.2 pt? -126.01 160.34 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 -134.84 18.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -95.92 -68.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.5 m-85 -129.19 45.33 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.7 m -112.64 125.8 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.7 m -128.25 139.11 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.431 ' CD1' HD21 ' A' ' 101' ' ' LEU . 11.6 mt -125.37 127.25 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.88 133.51 39.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 99' ' ' ILE . 71.5 t -97.57 116.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.99 125.33 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 10.2 m-85 -85.8 113.92 22.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.646 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 17.3 m -92.24 124.68 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.6 -66.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.34 170.35 18.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 153.29 41.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 117.39 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.0 m -146.52 138.04 24.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.12 136.52 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.0 155.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.8 157.23 53.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 p -103.45 98.33 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -44.2 124.55 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.04 -133.29 1.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 ttp -142.44 133.78 26.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.67 173.41 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 52.5 m -39.24 118.63 1.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.58 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.641 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.6 151.51 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -90.49 110.4 21.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -105.25 108.72 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.93 110.79 22.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -101.26 124.99 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 8.2 m-85 -85.26 88.17 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 m -75.47 -30.35 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -138.51 171.0 15.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.96 -169.06 19.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.83 14.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.549 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.34 4.85 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.66 115.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 7.06 32.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.74 164.23 11.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.48 132.54 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.78 170.78 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -148.69 144.85 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' OH ' ' CG1' ' A' ' 46' ' ' ILE . 74.6 m-85 -146.75 147.83 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -69.49 160.67 78.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.0 132.88 15.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.96 7.75 56.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -106.18 119.15 38.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.7 m -73.46 119.36 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ILE . 3.3 mt -104.66 94.84 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 105.12 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.439 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 10.4 t -90.27 116.7 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.53 -157.58 7.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -103.62 -37.31 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 pt -94.77 141.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.53 -42.48 93.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -46.43 130.02 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 42.4 69.24 0.62 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 37.4 m-20 -172.46 131.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -33.36 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' OH ' ' A' ' 29' ' ' TYR . 96.6 mt -141.4 138.97 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.04 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 53' ' ' ILE . 11.4 mt -128.58 125.19 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -95.71 72.88 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 2.5 t70 -120.47 -0.53 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 50' ' ' ASP . . . 80.22 -63.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.65 -27.32 0.31 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 48' ' ' ILE . 6.1 mt -89.35 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.57 173.44 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -49.17 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 62.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.555 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 3.4 t-160 -59.62 -66.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -150.86 172.2 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -135.04 140.66 45.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 46.3 mt -113.56 137.97 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -149.77 166.74 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.6 t -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -147.6 155.62 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.85 60.53 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 40.49 44.23 3.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -152.78 168.27 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 94.1 m95 -111.09 144.3 40.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.61 154.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -122.65 146.92 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -138.3 126.81 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -85.84 105.15 16.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -70.62 59.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 36.28 36.87 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.555 ' OG ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 t -42.22 161.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -68.81 -59.4 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.27 173.91 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.0 m -115.36 149.2 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 83' ' ' ASN . 36.4 mt -123.23 141.85 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 8.8 tp -127.41 110.2 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER 66.83 -69.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -166.6 50.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.4 m-20 -164.68 136.98 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.56 120.76 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 mt -60.93 173.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.6 147.24 55.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.9 1.81 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.451 1.764 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.29 23.56 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.5 m -144.79 149.38 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.7 p -125.76 124.18 40.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.6 t -106.6 147.52 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -88.7 114.87 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 76.3 mt -52.37 168.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.0 155.47 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.6 107.99 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.15 8.93 21.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -81.73 120.87 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.27 112.51 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 109' ' ' VAL . 34.8 mt -93.01 105.94 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -97.34 104.76 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.21 168.68 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.21 -138.36 32.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -96.09 -56.25 2.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -137.83 38.79 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.3 m -103.63 123.2 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.3 m -126.4 130.23 50.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.0 mt -119.96 130.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.6 tp -98.29 139.38 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.477 ' CG2' HD11 ' A' ' 99' ' ' ILE . 55.3 t -101.95 113.82 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 122.48 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -83.66 112.4 20.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.641 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 19.4 m -91.33 137.44 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.5 78.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.98 176.02 24.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.25 7.49 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.5 p -178.32 138.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.91 129.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.08 138.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -164.27 169.7 17.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.34 125.59 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -153.29 157.41 40.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -89.07 132.82 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.7 -127.69 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -82.45 143.69 30.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.35 -10.67 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 36.9 m -80.0 124.84 82.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.36 36.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -70.39 144.46 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -91.62 110.63 21.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -115.96 107.92 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 mt -89.45 122.21 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.21 125.07 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 57.9 m-85 -84.98 93.38 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.57 -29.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 10.9 mttt -134.86 -175.54 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 -169.42 40.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.97 -28.77 8.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.02 -0.67 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.93 114.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 -7.37 28.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.05 153.04 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.59 155.13 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -135.5 171.56 14.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -147.56 136.83 22.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -135.94 170.98 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -94.6 166.67 14.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.4 Cg_endo -74.98 126.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.768 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.06 13.23 29.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -112.53 112.68 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -71.09 113.74 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 2.6 mp -95.56 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.06 107.21 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.48 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 19.0 t -94.67 114.87 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.64 -160.02 8.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -101.93 -56.5 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.456 HG12 ' CG2' ' A' ' 55' ' ' THR . 6.6 pt -74.3 128.62 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 42' ' ' ARG . 22.1 m -42.49 -54.37 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER 33.98 -158.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.8 89.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -56.92 160.63 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -59.62 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.3 mt -113.51 140.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 41' ' ' VAL . . . -138.33 132.33 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 ' HB ' ' CD1' ' A' ' 53' ' ' ILE . 5.5 mt -129.86 119.56 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -91.92 72.73 5.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 25.8 t0 -111.57 9.93 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 73.36 -59.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.84 -22.38 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.477 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 48.9 mt -96.59 139.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 163.6 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.456 ' CG2' HG12 ' A' ' 40' ' ' ILE . 22.5 p -42.09 -65.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.98 68.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.644 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.7 t-160 -67.53 -63.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.43 170.5 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -137.25 139.02 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ILE . 12.5 mt -102.15 132.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 166.64 24.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.27 153.56 37.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -120.69 109.1 14.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.68 -83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.4 24.14 3.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -128.84 159.81 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 89.8 m95 -113.61 138.76 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.64 158.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -123.53 142.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.95 124.57 19.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.83 106.31 16.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.56 60.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.65 56.96 0.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.644 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 6.0 p -69.05 154.14 42.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 72.19 9.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 168.34 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.41 144.51 8.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.5 m -103.9 139.84 38.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.398 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.9 mt -115.95 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' SER . 36.3 tp -126.33 109.57 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 61.4 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.6 m -148.53 60.65 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -175.61 142.06 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.87 124.19 32.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD23 ' CB ' ' A' ' 80' ' ' LEU . 37.4 mt -67.04 172.38 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.64 152.43 77.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -35.91 2.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -93.77 27.3 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -146.76 146.2 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 95.1 p -126.4 128.18 46.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -110.63 157.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -96.82 124.03 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.81 164.95 9.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 109' ' ' VAL . . . -146.26 -168.1 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.9 116.85 32.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.21 22.08 30.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.19 121.86 28.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.87 123.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -106.71 108.14 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -97.84 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.19 171.03 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.47 -127.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -102.89 -54.27 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -143.17 30.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -92.1 117.69 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 19' ' ' LYS . 14.0 m -117.27 128.37 55.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.1 mt -114.84 142.95 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.7 tp -109.24 142.33 40.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 94' ' ' GLY . 55.8 t -104.96 113.81 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 128.11 53.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -93.35 106.86 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.0 t -91.28 116.46 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.2 t -107.22 119.53 39.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.28 -176.98 51.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.39 132.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.2 t -174.66 -58.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 8.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.99 27.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -63.27 147.75 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 35' ' ' ILE . 42.9 tp -91.8 114.76 27.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.9 ttt180 -113.55 103.38 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 107' ' ' ILE . 69.2 mt -87.24 111.25 20.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.7 124.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.0 m-85 -82.21 88.83 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.0 m -74.78 -32.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.63 -178.39 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -172.28 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.4 20.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.54 3.37 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -39.33 115.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.29 1.75 24.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.51 162.94 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.85 141.35 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -125.23 169.8 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.62 134.58 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.09 162.9 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -84.12 163.76 46.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.96 130.38 13.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.58 19.29 38.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.12 107.35 15.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 m -60.94 129.58 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.0 mt -116.53 96.18 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.64 106.25 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 47.8 t -93.95 119.11 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.14 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 4.5 ttt180 -101.12 -43.29 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.516 HG12 HG22 ' A' ' 55' ' ' THR . 16.8 pt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.721 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.89 138.53 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -131.51 127.94 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.79 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.2 mt -120.37 129.32 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.69 65.03 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' ILE . 5.4 t0 -108.95 4.57 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 72.11 -60.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.76 -24.69 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' A' ' 48' ' ' ILE . 7.8 mt -92.28 139.54 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.05 159.16 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 HG12 ' A' ' 40' ' ' ILE . 65.7 p -38.7 -58.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 2.9 t-160 -71.16 -65.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -153.18 170.33 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB3' HD21 ' A' ' 72' ' ' LEU . 9.1 ptt180 -132.31 143.22 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.468 HG21 HD21 ' A' ' 13' ' ' LEU . 50.1 mt -106.77 135.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -148.94 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.349 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 163.49 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -127.03 95.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.12 -81.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.24 42.16 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -153.69 168.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.651 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.3 m95 -112.4 141.52 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.3 m -139.56 154.94 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.0 145.52 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -139.74 125.28 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' GLY . 37.9 t0 -84.3 106.26 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -69.97 60.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.53 50.27 1.0 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 79.6 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.449 HG21 ' CD2' ' A' ' 58' ' ' LEU . 25.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 84' ' ' ALA . 34.7 mt -116.98 143.05 46.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 85' ' ' LEU . 24.0 tp -127.08 104.92 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 66.0 m-80 66.64 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.4 t -162.3 47.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -158.67 136.3 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.776 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.78 122.82 28.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 80' ' ' LEU . 29.9 mt -70.24 170.85 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.68 154.52 81.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.12 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.553 1.818 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.57 19.39 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 m -140.51 141.39 35.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 82.8 p -122.19 131.49 53.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.66 157.22 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -98.33 126.01 43.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 109' ' ' VAL . 82.6 mt -64.84 161.77 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -139.97 -167.53 11.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 104.65 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.17 27.13 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.22 124.62 34.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -94.61 127.06 46.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mt -108.68 106.99 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -99.13 105.57 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.57 167.6 14.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.7 -131.57 26.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -100.75 -63.49 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -133.27 48.94 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 m -114.67 121.29 42.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.724 ' HB2' HG23 ' A' ' 18' ' ' VAL . 28.8 m -122.9 135.2 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.475 HG21 HD22 ' A' ' 15' ' ' LEU . 19.3 mt -122.73 132.13 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.7 tp -100.17 134.26 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 75.6 t -98.55 120.74 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.56 130.63 49.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.448 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 14.3 m-85 -91.83 106.6 18.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.06 29.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -64.07 148.99 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 67' ' ' TRP . 27.2 tp -91.88 113.21 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -112.24 102.75 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 ' CG2' ' A' ' 107' ' ' ILE . 80.2 mt -89.52 109.5 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.36 132.27 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.54 87.09 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.756 HG11 HD12 ' A' ' 108' ' ' LEU . 4.2 m -71.25 -34.09 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 14.3 mttt -135.72 -177.26 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 95.27 -171.95 30.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.63 18.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -104.41 15.65 27.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.12 115.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.75 0.05 23.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.31 165.13 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.21 151.98 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -131.62 172.22 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.11 135.93 20.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 35' ' ' ILE . 97.4 m-85 -139.71 153.66 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.31 164.27 60.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.5 Cg_endo -74.99 130.32 13.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.31 6.66 56.57 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.99 106.21 16.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 60' ' ' ILE . 25.1 m -61.7 129.65 42.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.638 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -114.54 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 118.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 32.8 t -103.54 118.32 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.01 -155.29 6.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -109.32 -24.58 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG12 HG22 ' A' ' 55' ' ' THR . 4.9 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.7 mt -93.4 137.43 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -132.31 127.95 36.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.84 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.4 mt -119.67 131.81 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.1 65.71 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.3 t0 -109.76 -6.85 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.44 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -26.14 24.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.7 mt -92.37 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.2 160.05 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 55' ' ' THR . 73.8 p -40.59 -60.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 71.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 4.3 t60 -75.52 -65.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -153.87 170.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -136.7 144.05 43.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 34' ' ' THR . 13.0 mt -108.01 140.83 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.31 167.88 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.78 143.96 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -144.22 154.62 43.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.56 61.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 42.4 42.67 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -149.72 168.56 23.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.38 147.14 33.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.33 147.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.0 142.09 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -142.11 121.56 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -90.91 114.53 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.25 56.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.2 50.37 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.725 ' HB ' HD12 ' A' ' 85' ' ' LEU . 6.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 84' ' ' ALA . 12.5 mt -111.68 148.47 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 97' ' ' ASP . 46.9 tp -126.57 112.3 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 60.98 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 20.2 m -148.65 64.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t30 179.56 147.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.9 133.98 33.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.725 HD12 ' HB ' ' A' ' 78' ' ' THR . 48.5 mt -71.94 -175.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -143.93 140.04 16.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.44 12.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -100.9 29.24 4.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.9 m -156.99 152.63 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -125.41 127.78 47.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.5 t -109.21 157.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -95.93 122.65 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 109' ' ' VAL . 30.9 mt -58.95 157.84 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.32 156.51 26.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 123.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 88.64 23.5 36.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.552 ' HB3' HD11 ' A' ' 80' ' ' LEU . 7.2 m-20 -94.94 122.53 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -90.49 130.39 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 109' ' ' VAL . 22.9 mt -109.4 109.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -97.6 105.71 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HB3' HG23 ' A' ' 78' ' ' THR . 1.2 pt? -125.29 170.16 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.47 -109.57 2.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -119.78 -68.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -114.95 -28.33 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 2.1 m -38.32 131.08 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.756 ' HB2' HG23 ' A' ' 18' ' ' VAL . 41.7 m -134.79 134.47 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.423 ' CG2' HD22 ' A' ' 15' ' ' LEU . 33.4 mt -119.84 134.09 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 HG11 ' A' ' 18' ' ' VAL . 1.2 tt -102.62 138.43 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 93' ' ' LEU . 75.0 t -102.24 119.03 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -128.84 128.46 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -91.1 113.94 26.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 31' ' ' PRO . 22.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.72 29.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -66.02 147.75 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 60' ' ' ILE . 48.3 tp -91.79 114.98 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 4.8 ttt180 -113.82 99.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 60' ' ' ILE . 77.8 mt -82.91 111.26 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -99.71 124.98 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 15.2 m-85 -83.68 88.49 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.765 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -73.87 -33.25 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.6 -170.23 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.31 -170.52 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.95 -22.27 15.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -93.19 3.43 55.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.02 114.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.66 1.46 29.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.94 159.67 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.98 132.78 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.4 mt -116.83 170.24 8.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -148.46 133.81 18.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.99 159.46 41.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 164.28 55.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 130.28 13.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.71 16.84 43.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.24 110.8 20.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.2 m -63.96 125.91 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.551 HD13 HD23 ' A' ' 13' ' ' LEU . 3.3 mt -112.35 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -76.58 111.96 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 37.8 t -100.48 110.85 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.73 -151.95 7.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt180 -105.88 -32.39 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 55' ' ' THR . 23.8 pt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -93.99 137.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -132.67 127.31 34.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.83 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.9 mt -118.6 123.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -91.98 62.74 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.1 t70 -105.7 -8.14 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.89 -52.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.99 -17.9 10.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.83 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.3 mt -100.69 138.19 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -100.01 159.92 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 40' ' ' ILE . 16.4 p -44.27 -35.3 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -132.51 68.06 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.5 t60 -67.26 -66.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -150.06 170.81 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.1 ptt180 -133.79 138.39 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 13' ' ' LEU . 74.8 mt -102.48 138.41 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.23 165.42 31.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.54 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 29.4 t -125.89 147.56 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.5 m-20 -156.89 160.65 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.57 53.98 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.5 37.69 6.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.8 m120 -148.07 165.19 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.605 ' CE3' HD22 ' A' ' 13' ' ' LEU . 93.8 m95 -106.88 148.5 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.15 151.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 tt -117.83 145.84 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -140.91 123.17 15.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 12.3 t0 -84.84 106.94 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -69.91 61.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 37.08 45.75 1.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.634 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 96.1 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.5 ' CG2' HD12 ' A' ' 85' ' ' LEU . 60.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 84' ' ' ALA . 30.5 mt -134.03 130.75 37.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.506 HD12 ' OD1' ' A' ' 97' ' ' ASP . 49.9 tp -117.53 113.21 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 62.23 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -151.53 57.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -173.57 141.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.99 124.17 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 78' ' ' THR . 82.9 mt -65.79 176.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.98 148.69 65.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.05 23.81 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 m -153.13 140.79 19.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.12 129.7 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.2 158.64 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.67 131.27 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 109' ' ' VAL . 53.5 mt -69.08 156.81 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.77 149.07 20.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.94 125.04 25.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 0.801 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.95 3.03 58.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -73.61 153.62 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.32 109.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.74 110.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.53 105.82 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.27 164.14 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.93 -134.63 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.88 -66.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -128.67 49.87 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 m -117.39 122.39 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.765 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -123.33 133.67 54.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.56 ' CD1' HD21 ' A' ' 101' ' ' LEU . 33.7 mt -120.52 135.51 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 109' ' ' VAL . 5.3 tp -102.91 144.05 31.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.659 ' H ' HD12 ' A' ' 108' ' ' LEU . 73.2 t -104.35 121.66 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.79 127.45 42.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.6 m-85 -93.68 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 31' ' ' PRO . 47.2 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.42 36.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.04 147.75 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 HD13 ' A' ' 35' ' ' ILE . 46.7 tp -91.74 120.49 32.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.595 HH21 HG22 ' A' ' 112' ' ' VAL . 9.7 ttm180 -118.89 100.82 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 72.8 mt -86.11 109.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.83 127.0 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.01 90.26 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.736 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -76.11 -30.63 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -136.06 -176.42 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.44 -172.25 39.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.16 19.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 4.22 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.33 115.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.52 -4.39 26.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.12 158.75 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -157.13 136.62 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -121.56 168.72 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' TYR . 44.0 t0 -146.07 141.12 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 98.2 m-85 -141.78 163.06 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 162.33 56.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.01 128.13 11.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.67 9.35 46.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.4 106.07 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.736 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 m -61.23 120.82 11.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.671 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -106.8 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLU . 24.5 mtp180 -75.94 112.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.5 t -98.29 121.0 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.66 -154.98 6.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -107.99 -32.07 7.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 55' ' ' THR . 42.2 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ARG . 33.3 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -91.95 131.75 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.17 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 105' ' ' THR . 7.8 mt -114.82 137.19 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 53.07 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 14.2 t0 -103.83 -17.59 14.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.58 -51.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.01 -24.89 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.769 HG12 HD12 ' A' ' 101' ' ' LEU . 6.2 mt -97.16 145.05 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.84 156.83 17.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.829 HG23 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -39.75 -53.78 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.58 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -152.44 171.72 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.472 ' HB3' HD21 ' A' ' 72' ' ' LEU . 7.6 ptt180 -135.58 143.19 45.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.481 HG21 HD21 ' A' ' 13' ' ' LEU . 87.3 mt -104.73 138.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 165.18 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.4 t -126.66 141.66 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.5 161.55 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.01 52.78 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.46 44.79 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -153.13 168.75 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 31' ' ' PRO . 96.8 m95 -109.09 144.61 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.21 152.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.32 143.72 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -142.29 127.23 18.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.95 113.33 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -74.83 57.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.31 65.93 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 58' ' ' LEU . 5.5 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 84' ' ' ALA . 44.4 mt -117.73 141.19 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 97' ' ' ASP . 21.1 tp -126.93 105.46 8.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 59.5 m-80 67.31 -68.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -164.61 54.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -167.67 135.29 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.676 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.3 120.15 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.01 171.87 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.4 152.85 81.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.23 2.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.22 24.25 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.8 m -144.63 142.55 30.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.411 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 80.4 p -126.34 130.71 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.42 152.37 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -89.58 121.02 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 109' ' ' VAL . 63.3 mt -55.23 160.81 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.15 149.57 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.409 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -63.76 114.48 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.42 13.63 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.9 m-20 -84.11 125.48 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.65 125.21 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.4 mt -107.78 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -99.6 106.1 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.769 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.12 163.69 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.66 -126.13 10.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.53 -68.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -128.71 53.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.406 HG21 HD13 ' A' ' 48' ' ' ILE . 2.6 m -120.68 121.16 37.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 18.1 m -122.36 135.24 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.08 134.1 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.3 tp -100.59 140.2 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 65.9 t -105.01 119.78 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.95 131.18 53.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 11.9 m-85 -93.14 107.76 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HH21 ' A' ' 14' ' ' ARG . 23.7 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 31' ' ' PRO . 94.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.38 36.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -64.57 148.18 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 35' ' ' ILE . 56.6 tp -91.34 115.59 28.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.8 ttt180 -113.43 102.7 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 107' ' ' ILE . 71.9 mt -87.13 111.95 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.72 124.57 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.45 83.96 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.4 m -70.51 -33.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.0 mttm -136.77 179.13 6.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.48 -172.97 24.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -15.43 20.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -109.5 16.81 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -48.21 118.5 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.27 5.59 22.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.55 163.18 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.89 132.18 10.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -117.62 169.34 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.92 145.61 27.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -147.19 166.72 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 162.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 129.16 12.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.15 13.28 53.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.84 108.8 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -62.59 119.78 9.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 3.4 mt -107.1 94.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -76.55 114.86 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 15.1 t -103.47 129.11 55.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -148.11 -146.18 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.5 ttt180 -110.31 -41.7 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' ARG . 67.6 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.0 mt -95.45 140.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -133.14 146.1 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.854 ' HB ' HD13 ' A' ' 53' ' ' ILE . 27.1 mt -136.56 119.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -88.2 68.83 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -119.19 -3.05 10.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.72 -60.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.85 -28.75 0.15 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.854 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.2 mt -93.79 140.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.812 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -108.66 162.26 14.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 p -38.43 -64.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 70.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 3.0 t-160 -69.25 -63.73 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -155.73 171.9 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 ptt180 -134.88 141.36 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG21 HD21 ' A' ' 13' ' ' LEU . 89.8 mt -105.69 139.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 166.96 30.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -124.62 140.94 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.1 160.59 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.08 56.14 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.35 44.49 7.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -154.97 167.68 29.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.9 m95 -105.71 147.03 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.11 156.39 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.63 144.07 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -142.21 126.27 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 110.58 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -74.65 57.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.99 55.97 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 4.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' ' 84' ' ' ALA . 19.1 mt -109.7 143.64 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 97' ' ' ASP . 26.7 tp -127.25 107.44 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.8 m-80 63.79 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -156.33 47.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -159.29 138.08 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -82.93 124.54 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 80' ' ' LEU . 30.6 mt -73.43 170.27 15.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.44 150.93 75.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.64 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.54 1.81 . . . . 0.0 111.043 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.52 33.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -157.4 146.65 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.8 p -119.66 130.38 55.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.4 t -112.9 149.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -90.75 123.44 34.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 109' ' ' VAL . 49.5 mt -65.93 171.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.33 152.15 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 27.3 t0 -63.02 106.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.98 16.59 9.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.532 ' HB3' HD11 ' A' ' 80' ' ' LEU . 8.3 m-20 -88.45 120.89 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.74 117.88 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.74 109.85 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -100.23 104.86 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.06 171.26 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.77 -129.56 33.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -105.34 -62.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.89 47.94 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.649 HG21 HD13 ' A' ' 48' ' ' ILE . 1.8 m -114.89 121.74 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.811 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.9 m -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.415 ' CG2' HD22 ' A' ' 15' ' ' LEU . 14.3 mt -125.55 132.17 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.655 HD12 ' H ' ' A' ' 109' ' ' VAL . 6.0 tp -100.9 142.31 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -106.64 117.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.56 130.24 51.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 19.8 m-85 -92.82 106.33 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 22.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.11 34.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 149.36 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 HD13 ' A' ' 35' ' ' ILE . 50.8 tp -91.62 115.91 28.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' HG2' HG23 ' A' ' 16' ' ' VAL . 10.2 ttp180 -114.1 104.43 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HG21 ' A' ' 107' ' ' ILE . 79.2 mt -90.46 108.57 19.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' HG2' ' A' ' 14' ' ' ARG . 88.3 t -99.05 124.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -82.22 89.3 6.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.755 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.59 -29.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.4 mttm -138.94 177.04 8.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.76 -170.2 25.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.24 4.17 48.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -39.92 114.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.85 -1.21 25.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.23 158.7 16.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.87 146.53 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.582 HD13 HG12 ' A' ' 46' ' ' ILE . 1.4 mt -130.92 172.65 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.1 145.42 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 46' ' ' ILE . 79.4 m-85 -146.34 157.58 43.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -78.5 162.44 65.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.592 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 131.36 14.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.66 15.44 40.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.37 105.44 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 60' ' ' ILE . 17.7 m -60.94 129.14 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.759 HD13 HD23 ' A' ' 13' ' ' LEU . 2.8 mt -114.72 103.7 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -82.29 109.71 16.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 56.3 t -96.41 118.34 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.97 -149.81 5.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 3.8 ttt180 -106.13 -22.17 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 55' ' ' THR . 7.8 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.582 HG12 HD13 ' A' ' 27' ' ' LEU . 35.2 mt -131.45 138.91 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.477 ' HB2' ' C ' ' A' ' 40' ' ' ILE . . . -130.86 138.83 50.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -115.75 141.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 65.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.669 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -114.84 -10.33 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.43 -52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.57 -20.2 5.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.845 HD13 ' HB ' ' A' ' 48' ' ' ILE . 8.0 mt -95.31 142.78 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.37 154.91 20.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.504 HG22 HG12 ' A' ' 40' ' ' ILE . 68.7 p -39.37 -47.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 69.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 5.9 t-80 -71.61 -65.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -150.75 171.83 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.6 ptt180 -133.51 140.67 47.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 13' ' ' LEU . 13.2 mt -108.06 143.41 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -153.58 170.21 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.363 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 1.2 t -128.13 156.39 42.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.99 157.85 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.18 51.29 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.81 43.15 38.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -150.49 167.44 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 13' ' ' LEU . 94.2 m95 -111.28 143.32 42.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.04 145.09 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.4 148.15 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -142.63 133.53 25.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.2 t70 -86.29 112.99 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -73.41 58.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.08 47.45 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' GLY . 73.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.95 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 84' ' ' ALA . 46.7 mt -124.94 140.75 52.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 97' ' ' ASP . 19.8 tp -125.1 103.93 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.7 m-80 66.94 -69.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -162.69 58.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -173.99 133.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.17 120.66 21.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.19 174.08 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.86 150.74 69.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.97 -62.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.78 -28.4 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -96.46 148.82 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.6 p -125.35 142.03 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.65 156.8 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.49 124.44 38.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 109' ' ' VAL . 80.6 mt -62.53 156.53 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.65 151.33 22.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -65.63 110.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.94 12.89 26.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' LEU . 16.0 m-20 -84.82 122.16 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 t -91.65 124.25 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.94 110.21 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -99.79 105.77 17.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.622 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.3 166.78 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.58 -136.96 39.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -91.94 -76.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -122.56 55.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.667 HG21 HD13 ' A' ' 48' ' ' ILE . 4.0 m -118.56 126.21 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.755 ' HB2' HG23 ' A' ' 18' ' ' VAL . 17.4 m -127.55 133.12 49.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.551 HG21 HD22 ' A' ' 15' ' ' LEU . 36.6 mt -119.44 140.45 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.9 tp -109.45 125.36 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.683 HG21 HD22 ' A' ' 93' ' ' LEU . 75.8 t -89.94 120.27 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.3 136.69 52.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.8 m-85 -99.66 106.92 18.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' PRO . 88.2 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.97 42.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -72.91 145.3 46.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.761 HD21 HG13 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -92.02 110.53 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG2' HG23 ' A' ' 16' ' ' VAL . 24.8 ttp180 -107.51 112.41 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 107' ' ' ILE . 77.9 mt -92.36 107.85 19.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 14' ' ' ARG . 94.7 t -101.98 125.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 84.0 m-85 -83.29 90.28 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.862 HG11 HD12 ' A' ' 108' ' ' LEU . 16.0 m -74.12 -27.52 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -138.4 -174.06 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -171.05 41.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.2 Cg_endo -74.98 -23.61 13.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 1.4 mtt180 -93.2 6.47 47.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -42.72 116.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.15 -5.04 26.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.08 157.98 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.61 134.55 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.35 170.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -147.27 141.06 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -138.48 167.02 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -86.65 163.1 42.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.626 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 124.7 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.76 11.71 36.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -110.32 120.31 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 60' ' ' ILE . 24.9 m -74.77 132.62 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.72 96.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.43 121.23 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 27.4 t -109.94 120.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.27 -149.9 5.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 49' ' ' LYS . 1.1 ttt180 -102.05 -43.57 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 18.6 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 58.4 mt -97.67 142.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -153.25 119.28 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.653 ' HB ' HD13 ' A' ' 53' ' ' ILE . 1.7 mt -106.05 121.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 12.3 mmmm -85.28 62.15 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.6 t0 -102.2 1.13 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.27 -59.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.34 -25.49 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.653 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -94.35 153.09 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -116.8 155.64 28.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 22.0 p -36.79 -57.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 73.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -75.41 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -156.04 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG2' HD11 ' A' ' 72' ' ' LEU . 13.1 ptt180 -137.0 140.32 42.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 34' ' ' THR . 11.0 mt -105.27 139.15 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 178.45 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 3.1 t -139.32 139.06 37.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.49 -153.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -39.0 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.7 46.26 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -153.99 166.21 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 81.9 m95 -112.87 146.78 38.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.02 152.49 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.546 HD12 ' CG1' ' A' ' 60' ' ' ILE . 2.3 tt -123.78 143.68 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -138.34 126.03 22.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 44.2 t0 -83.62 105.94 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.92 60.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.82 58.87 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 10.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.612 ' CG2' HD12 ' A' ' 85' ' ' LEU . 39.7 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.0 mt -113.26 140.9 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' SER . 27.6 tp -127.26 106.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.2 m-80 62.86 -76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -153.6 61.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -175.43 138.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -83.05 120.4 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 78' ' ' THR . 46.1 mt -64.54 170.32 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.6 153.97 81.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.93 -38.3 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -91.83 34.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -155.61 145.55 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -124.6 126.37 45.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.18 144.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.1 116.73 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 109' ' ' VAL . 83.2 mt -57.84 162.92 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -149.0 153.77 25.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.8 OUTLIER -70.04 106.08 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.1 17.05 7.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 41.7 m-20 -91.75 141.75 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.61 119.15 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mt -100.31 105.33 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -96.01 105.5 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -125.22 161.74 26.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.29 -134.02 18.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.51 -64.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -137.34 49.3 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.47 HG21 HD13 ' A' ' 48' ' ' ILE . 2.5 m -113.45 115.96 28.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.7 ' HB2' HG23 ' A' ' 18' ' ' VAL . 32.2 m -116.08 134.96 54.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.483 HG21 HD22 ' A' ' 15' ' ' LEU . 23.3 mt -120.6 131.37 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.862 HD12 HG11 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.56 143.9 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.761 HG13 HD21 ' A' ' 13' ' ' LEU . 65.1 t -109.6 113.49 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -123.01 133.35 54.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.4 m-85 -92.1 106.86 18.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.423 HG22 ' NH2' ' A' ' 14' ' ' ARG . 25.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 31' ' ' PRO . 21.9 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.95 139.22 24.16 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.645 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -57.75 154.51 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 35' ' ' ILE . 17.8 tp -91.18 110.6 21.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.82 99.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 HG21 ' A' ' 107' ' ' ILE . 70.4 mt -88.69 114.18 25.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.12 125.0 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 18.4 m-85 -83.44 90.1 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.4 m -76.14 -31.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 15.1 mttt -134.48 -175.16 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 87.81 -172.82 42.77 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.45 20.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.764 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.3 mtp85 -98.04 3.18 49.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 117.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.13 1.34 33.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.13 158.72 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.04 138.56 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.79 168.35 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.89 137.56 22.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD11 ' A' ' 35' ' ' ILE . 98.7 m-85 -138.55 151.62 47.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -69.51 162.78 64.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.599 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.02 132.43 15.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.62 8.16 61.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 116.68 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.6 m -68.1 118.35 11.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.827 HD13 HD23 ' A' ' 13' ' ' LEU . 3.8 mt -103.57 94.73 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -79.55 105.22 10.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.436 HG23 HD12 ' A' ' 60' ' ' ILE . 45.3 t -96.2 125.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.42 -155.04 6.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -103.3 -41.87 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 55' ' ' THR . 3.9 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mt -138.84 142.21 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -135.91 117.4 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.7 ' HB ' HD13 ' A' ' 53' ' ' ILE . 4.6 mt -108.81 122.3 63.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -90.37 68.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.663 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.1 t70 -109.55 -4.7 16.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.27 -58.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -23.42 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.7 HD13 ' HB ' ' A' ' 48' ' ' ILE . 13.7 mt -93.48 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 166.53 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' ILE . 55.6 p -45.54 -56.94 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -112.47 67.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 5.3 t-80 -65.31 -67.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.93 172.62 13.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -135.41 129.07 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.586 HG12 HD12 ' A' ' 69' ' ' ILE . 6.2 mt -105.33 137.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.78 168.15 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.01 171.92 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.27 89.85 2.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.35 -72.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 34.51 1.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.15 165.24 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.638 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.3 m95 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.87 155.37 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.586 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -126.49 147.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -140.35 128.05 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.0 t0 -85.73 105.36 16.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -72.4 57.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.21 50.42 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 73' ' ' GLY . 88.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 85' ' ' LEU . 19.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.2 mt -117.65 133.04 56.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD22 HD21 ' A' ' 85' ' ' LEU . 29.5 tp -117.96 109.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 60.39 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 4.7 t -144.85 61.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -179.34 142.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.755 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.45 123.75 28.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 HD22 ' A' ' 80' ' ' LEU . 92.6 mt -61.47 -176.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.88 144.24 31.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.5 Cg_endo -74.96 -37.54 2.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -90.99 34.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 67.7 m -158.13 146.95 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.6 p -123.26 122.62 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.89 148.98 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -89.68 114.24 25.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.41 147.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -120.93 -167.57 13.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.43 121.93 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.04 30.56 46.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.37 120.26 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.8 120.94 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.94 109.59 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -98.65 104.87 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -126.02 161.82 26.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.62 -140.74 32.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.597 1.186 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -92.88 -69.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLY . 96.6 m-85 -124.85 46.83 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -115.52 123.11 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.722 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -127.59 134.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 15' ' ' LEU . 29.6 mt -118.38 140.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 109' ' ' VAL . 2.0 tp -108.73 131.19 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 108' ' ' LEU . 58.6 t -97.64 116.96 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.02 121.54 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.479 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 11.4 m-85 -83.4 108.21 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 24.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 13.6 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.16 26.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.637 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.71 154.14 15.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD23 HD13 ' A' ' 35' ' ' ILE . 17.7 tp -91.11 110.58 21.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.068 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -105.42 98.84 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 107' ' ' ILE . 78.9 mt -86.8 109.91 19.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 57.9 t -99.67 125.99 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 5.7 m-85 -85.02 88.03 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' HB2' ' A' ' 106' ' ' SER . 11.0 m -75.07 -27.49 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -141.93 173.75 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.61 -171.51 23.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.98 -16.6 20.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.13 6.84 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.22 117.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.224 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 5.79 33.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.41 161.22 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.06 126.59 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -113.23 170.52 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -148.73 134.62 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -135.23 148.79 49.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -70.71 164.52 54.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 137.23 21.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 15.78 63.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.14 104.32 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 35.1 m -61.25 122.96 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.715 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -107.24 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 104.97 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 46' ' ' ILE . 42.1 t -92.49 118.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.05 -153.12 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.436 1.085 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -109.62 -36.14 6.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.553 HG12 HG22 ' A' ' 55' ' ' THR . 4.6 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.1 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 HG22 ' A' ' 37' ' ' VAL . 68.3 mt -137.89 139.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.42 120.3 19.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.868 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.0 mt -110.53 132.6 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 71.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.613 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.2 t70 -120.92 -1.69 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.0 -58.11 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.06 -24.93 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.868 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -94.46 141.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.32 159.35 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 40' ' ' ILE . 81.5 p -39.21 -60.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -107.68 68.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.493 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.2 t-160 -70.65 -66.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -152.96 170.86 19.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -134.98 143.13 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 13' ' ' LEU . 17.5 mt -109.16 139.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.42 160.72 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -116.97 141.18 48.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -110.3 -153.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.5 m -44.36 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 37.59 48.74 1.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -156.28 165.14 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.1 m95 -114.15 145.24 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.74 152.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 2.7 tt -124.47 147.03 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.27 127.11 18.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.5 t70 -85.88 110.45 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -76.77 54.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.48 68.11 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.493 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 28.9 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.441 ' OG1' HD23 ' A' ' 58' ' ' LEU . 16.6 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.3 mt -107.7 140.47 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' SER . 16.6 tp -127.24 107.64 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.9 m-80 66.25 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.7 m -163.37 56.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -170.14 136.58 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.628 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.93 118.73 21.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 78' ' ' THR . 39.8 mt -65.52 169.17 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.51 145.46 36.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.4 Cg_endo -74.94 -28.76 9.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.78 7.06 47.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.2 m -136.01 135.91 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.23 127.35 55.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.13 151.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 112.48 21.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 109' ' ' VAL . 34.4 mt -50.17 164.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.82 154.56 25.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.93 114.17 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.94 16.02 24.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 80' ' ' LEU . 4.4 m-20 -87.91 125.12 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.58 123.92 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.11 106.53 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -97.02 104.97 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -126.06 161.57 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.86 -131.5 15.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -101.69 -64.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -131.34 49.02 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 HD13 ' A' ' 48' ' ' ILE . 7.2 m -116.96 118.61 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.744 ' HB2' HG23 ' A' ' 18' ' ' VAL . 46.9 m -121.4 133.75 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 15' ' ' LEU . 15.7 mt -120.75 127.1 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -96.15 136.99 35.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -101.01 121.2 51.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.07 122.83 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.44 111.42 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.637 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 20.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 31' ' ' PRO . 19.8 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.58 42.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -74.43 147.05 42.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.67 110.62 21.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -112.37 108.92 18.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 46' ' ' ILE . 62.6 mt -89.81 115.43 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.63 124.82 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 56.3 m-85 -86.61 90.31 8.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.0 m -77.86 -30.16 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 1.9 mmtt -132.97 -169.54 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 79.42 -169.48 53.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -25.14 12.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 8.3 mtp180 -87.07 0.32 55.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 28.9 tt0 -39.61 114.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.44 -3.62 29.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -102.24 156.3 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.51 150.92 28.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 46' ' ' ILE . 6.9 mt -138.41 168.74 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -148.26 143.09 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -141.43 162.76 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.49 166.17 36.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.97 130.6 13.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.97 19.01 32.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -117.56 111.83 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -67.47 132.42 47.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.9 mt -116.97 94.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -75.66 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 90.9 t -93.81 120.02 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.42 -150.48 5.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -104.8 -22.12 13.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 20.0 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.657 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.9 tp10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.518 ' CD1' HD12 ' A' ' 15' ' ' LEU . 57.4 mt -139.53 144.45 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -133.45 149.18 51.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.856 ' HB ' HD13 ' A' ' 53' ' ' ILE . 3.4 mt -134.97 119.83 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.93 69.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 61.2 t0 -114.98 -9.43 12.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 81.89 -57.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.48 -21.87 3.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.856 HD13 ' HB ' ' A' ' 48' ' ' ILE . 9.5 mt -91.99 143.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.23 168.9 8.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -49.96 -52.19 35.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -115.57 62.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.0 t60 -60.79 -65.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -149.37 172.74 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -133.5 131.68 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.7 mt -104.97 132.02 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 168.41 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.525 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 6.1 t -128.2 135.35 49.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.83 162.43 38.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.89 52.87 7.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.18 41.81 8.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -153.51 169.51 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 82.1 m95 -111.81 141.49 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.41 158.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -123.8 146.13 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -141.96 124.31 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.3 t0 -83.57 105.58 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -69.67 60.63 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.17 46.1 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.1 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.42 ' OG1' HD23 ' A' ' 58' ' ' LEU . 38.5 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 84' ' ' ALA . 31.1 mt -121.71 130.89 53.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 99' ' ' ILE . 8.8 tp -123.25 104.51 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . 57.8 m-80 51.26 80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ASN . 1.6 m 37.51 48.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.68 132.09 11.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.59 126.14 34.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -75.27 -175.33 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 150.32 53.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.84 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -92.89 31.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.8 m -152.41 147.5 26.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.5 p -128.33 120.31 26.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.01 159.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -97.08 117.26 30.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.765 HD22 HG21 ' A' ' 109' ' ' VAL . 46.6 mt -54.34 168.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.12 152.93 24.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.3 t70 -68.37 114.03 6.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 0.803 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.555 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 106.05 13.0 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.643 ' HB3' HD11 ' A' ' 80' ' ' LEU . 15.5 m-20 -88.16 124.33 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.68 114.49 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 80' ' ' LEU . 28.4 mt -95.47 110.0 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.38 105.02 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -125.96 163.73 22.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.35 -140.17 33.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -81.9 -70.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.2 53.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.454 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -110.83 120.53 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.635 ' HB2' HG23 ' A' ' 18' ' ' VAL . 13.1 m -117.32 131.22 56.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 101' ' ' LEU . 26.8 mt -120.22 128.58 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.555 HD21 ' HA2' ' A' ' 96' ' ' GLY . 1.7 tt -96.14 132.93 41.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.765 HG21 HD22 ' A' ' 93' ' ' LEU . 44.1 t -95.32 115.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.494 ' OD1' HD22 ' A' ' 108' ' ' LEU . 1.6 m120 -122.71 134.02 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -96.54 111.89 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 3.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.19 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -63.04 144.94 56.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -91.76 110.58 21.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.2 116.17 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 107' ' ' ILE . 81.5 mt -99.04 109.56 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -100.95 126.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 18.8 m-85 -85.04 88.02 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.4 m -74.99 -31.52 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 23.0 mttt -134.31 -173.79 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.62 -170.99 41.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.2 Cg_endo -75.03 -21.67 15.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.01 4.87 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -41.26 114.63 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.95 0.51 24.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.58 160.89 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.49 137.42 14.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.54 167.91 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -148.91 147.44 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.9 175.03 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.15 164.4 18.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 126.14 9.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.5 9.48 43.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.15 119.11 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -73.76 129.61 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.574 HD13 HD12 ' A' ' 13' ' ' LEU . 2.7 mp -113.51 95.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 5.1 mtm180 -78.76 109.1 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 t -95.76 118.85 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.37 -154.99 6.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -102.98 -32.19 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.3 mt -99.61 139.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.22 135.72 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.883 ' HB ' HD13 ' A' ' 53' ' ' ILE . 9.1 mt -125.2 116.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.8 71.81 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.596 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 t0 -120.59 -2.24 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 77.83 -55.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.3 -23.97 1.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.883 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -96.8 139.91 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.55 161.32 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -42.17 -54.27 3.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 70.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.4 t-160 -72.55 -64.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -155.8 172.71 17.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.411 ' HG2' HD11 ' A' ' 72' ' ' LEU . 14.9 ptt180 -137.07 143.15 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.408 HG12 HD12 ' A' ' 69' ' ' ILE . 58.6 mt -104.38 134.4 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -141.41 167.32 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.405 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -123.83 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -109.72 -153.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.76 93.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 39.41 47.34 2.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -155.99 164.88 37.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.545 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 91.5 m95 -114.5 145.25 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.44 155.69 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 1.7 tt -124.65 143.03 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 72' ' ' LEU . 6.0 tt0 -142.02 119.78 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -77.15 110.17 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -69.24 64.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 36.72 45.22 1.01 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 84' ' ' ALA . 53.5 mt -127.05 141.86 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 97' ' ' ASP . 37.8 tp -126.77 103.41 7.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.4 m-80 66.37 -69.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -160.84 53.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -165.19 138.69 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.716 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.39 122.22 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.94 161.07 16.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.57 158.54 64.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 -63.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.06 -26.71 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.3 m -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.7 p -126.8 145.05 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.57 148.42 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -89.78 123.0 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 109' ' ' VAL . 24.4 mt -56.18 174.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.64 154.75 25.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.69 116.18 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.05 12.84 38.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.675 ' HB3' HD11 ' A' ' 80' ' ' LEU . 12.1 m-20 -86.17 121.9 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -92.41 123.12 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.51 106.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -99.49 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.23 167.81 14.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.78 -119.21 8.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -113.71 -69.28 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.285 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.36 49.18 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 HG21 HD13 ' A' ' 48' ' ' ILE . 2.0 m -115.9 124.38 50.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -123.29 138.41 54.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.427 HG21 HD22 ' A' ' 15' ' ' LEU . 11.6 mt -125.04 128.3 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -95.87 131.57 42.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 93' ' ' LEU . 48.6 t -97.84 116.64 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.05 135.28 53.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -98.71 106.94 19.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 31' ' ' PRO . 18.7 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.09 42.42 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -72.68 141.31 48.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.079 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -91.69 110.66 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 16' ' ' VAL . 29.9 ttp180 -111.5 117.0 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 107' ' ' ILE . 76.9 mt -96.9 108.38 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 14' ' ' ARG . 68.9 t -99.94 124.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 42.7 m-85 -83.66 89.58 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.35 -31.55 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -136.18 -172.65 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 85.69 -168.69 41.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.01 5.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 4.2 mtp85 -83.71 -0.08 49.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 29.4 tt0 -39.23 117.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.01 -5.31 30.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.37 159.09 15.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.0 149.86 27.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG12 ' A' ' 46' ' ' ILE . 4.2 mt -135.38 171.29 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 6.9 t70 -147.05 150.01 34.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 28' ' ' ASP . 38.5 m-85 -147.64 154.43 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 162.98 69.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.0 128.61 11.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.67 16.54 28.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.25 120.26 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -76.06 122.01 23.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.8 mp -104.48 105.42 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -86.01 104.06 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 53.4 t -91.88 123.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.31 7.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -97.2 -26.24 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.855 HD11 HG23 ' A' ' 55' ' ' THR . 40.7 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 27' ' ' LEU . 23.1 mt -125.34 140.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -128.6 128.61 44.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.516 HG21 HG21 ' A' ' 105' ' ' THR . 3.9 mt -115.14 127.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.56 69.85 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 29.0 t0 -112.76 -6.78 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.77 -57.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.36 -21.9 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 63.1 mt -89.98 142.45 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.65 157.72 17.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.855 HG23 HD11 ' A' ' 40' ' ' ILE . 1.2 m -42.01 -50.94 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 66.66 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 4.5 t-80 -68.64 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.643 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -154.69 172.14 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -131.48 146.13 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ILE . 73.7 mt -113.15 135.03 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.02 168.56 20.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.503 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -128.75 142.22 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -152.25 155.08 37.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.21 58.67 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.24 39.81 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -150.32 167.47 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 83.3 m95 -112.03 146.46 37.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.005 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.9 157.18 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 tt -128.1 144.87 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -142.32 125.39 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -83.34 109.39 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.55 59.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.5 48.54 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' GLY . 2.9 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.6 mt -118.87 139.97 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.8 tp -125.29 104.41 8.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 75.9 m-20 65.13 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -159.4 60.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -175.12 135.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.679 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.15 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 80' ' ' LEU . 39.2 mt -65.77 170.55 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.34 148.63 61.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.57 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' HG1' ' A' ' 89' ' ' THR . 43.3 mt-10 -90.6 31.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.451 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 81.2 m -153.59 143.34 21.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.4 p -118.69 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.84 149.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.11 135.9 33.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 109' ' ' VAL . 45.5 mt -77.3 171.18 15.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.2 155.6 26.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t70 -69.23 112.67 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.8 13.44 21.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -88.96 124.3 34.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.97 126.73 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.01 106.35 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -96.04 105.33 17.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 164.17 21.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.98 -142.59 38.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -140.97 50.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 48' ' ' ILE . 3.4 m -110.38 116.73 31.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -115.86 134.35 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 15' ' ' LEU . 43.0 mt -120.84 135.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 8.8 tp -102.73 138.66 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 53.1 t -102.72 115.99 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.48 140.55 52.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 15.3 m-85 -103.8 107.55 18.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 56.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.3 42.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -71.83 144.82 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -93.18 111.47 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -113.48 115.76 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 107' ' ' ILE . 79.1 mt -97.17 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -101.41 125.55 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 29.0 m-85 -83.28 89.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG11 HD12 ' A' ' 108' ' ' LEU . 15.6 m -74.17 -31.17 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -134.68 -170.87 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 -172.77 47.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.15 18.11 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 3.87 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -40.4 115.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.99 -2.05 24.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.03 156.2 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.1 138.86 17.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.9 170.44 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -149.12 147.35 28.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -145.26 171.56 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.57 165.19 18.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.01 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.81 13.14 44.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -111.71 109.24 19.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.5 m -66.55 123.11 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.7 mp -108.26 94.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -78.4 107.16 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.3 t -91.84 118.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.26 -146.82 5.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.2 ttt180 -116.58 -10.26 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 55' ' ' THR . 8.9 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.693 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -139.43 134.71 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.2 137.41 54.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.688 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.3 mt -122.84 131.36 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.34 68.32 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.619 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 7.1 t0 -115.82 -9.04 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.3 -55.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.45 -24.18 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -93.72 140.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 157.49 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 HG12 ' A' ' 40' ' ' ILE . 18.3 p -37.94 -53.06 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -116.13 69.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.2 t60 -69.53 -64.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.76 172.33 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.0 ptt180 -133.84 145.59 49.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.83 134.17 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -142.67 166.86 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.1 t -128.78 139.41 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -144.28 156.05 44.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.53 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.4 OUTLIER 40.9 62.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 39.82 40.38 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 64' ' ' SER . 44.6 m-80 -146.66 165.69 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 88.3 m95 -113.59 143.36 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.27 153.84 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.9 145.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.34 123.34 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLY . 19.6 t0 -82.77 107.07 15.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.6 61.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 37.84 42.91 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.618 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.2 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 85' ' ' LEU . 25.4 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 84' ' ' ALA . 45.2 mt -120.68 141.85 50.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 tp -127.16 103.54 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 56.4 m-80 66.91 -68.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' LEU . 5.0 m -163.06 57.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -172.01 133.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.704 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.13 121.53 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' CG2' ' A' ' 78' ' ' THR . 36.2 mt -65.93 165.65 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.56 152.68 62.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -40.39 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.3 12.54 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -139.38 141.79 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.8 125.99 38.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.62 160.46 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.82 122.21 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 109' ' ' VAL . 62.1 mt -58.38 167.35 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 97' ' ' ASP . . . -155.22 153.41 24.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -66.15 106.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.34 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 6.3 m-20 -93.07 125.23 37.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.85 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mt -103.83 107.86 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -98.42 105.91 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -124.94 162.19 24.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.68 -126.03 10.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.88 -68.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -130.45 50.65 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.3 m -115.46 120.46 39.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -120.04 135.74 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.472 HG21 HD22 ' A' ' 15' ' ' LEU . 32.3 mt -122.42 130.5 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -97.05 137.91 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 93' ' ' LEU . 54.7 t -102.89 116.77 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.53 135.32 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.3 m-85 -98.75 106.72 19.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 7.4 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 146.42 32.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -66.39 150.91 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 35' ' ' ILE . 22.4 tp -91.67 112.54 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -111.62 102.86 11.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.88 112.22 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 39.0 t -105.68 125.08 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 50.8 m-85 -85.22 91.63 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 106' ' ' SER . 12.2 m -76.0 -28.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -134.18 -175.01 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.26 -176.49 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.05 20.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.775 ' NH2' HG23 ' A' ' 46' ' ' ILE . 6.4 mtm180 -100.03 3.76 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 1.6 tm-20 -39.6 121.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.44 3.85 35.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.72 154.2 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.26 145.4 25.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 46' ' ' ILE . 1.1 mt -130.64 174.04 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -148.57 142.22 25.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CG ' HG12 ' A' ' 35' ' ' ILE . 94.3 m-85 -146.17 152.01 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.68 164.35 60.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -75.02 129.03 11.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.58 15.94 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.33 113.65 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -67.62 122.78 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.736 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -108.34 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -75.94 118.47 18.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 98.9 t -107.06 117.83 53.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.18 -154.44 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -104.91 -28.99 10.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 55' ' ' THR . 5.9 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' NH2' ' A' ' 22' ' ' ARG . 39.1 mt -93.94 137.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.87 140.16 43.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.8 mp -127.98 124.43 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 mmpp? -75.19 66.34 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.72 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -132.01 109.88 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.41 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -56.44 -46.1 88.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.746 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -80.67 167.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.538 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.81 172.3 13.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 40' ' ' ILE . 44.2 p -73.36 109.04 6.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.0 mttt 79.77 28.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.6 t60 -39.05 -57.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.664 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -151.32 171.89 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.4 ptt180 -134.2 133.28 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 HD21 ' A' ' 13' ' ' LEU . 70.7 mt -101.54 136.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 173.46 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -122.27 136.45 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 65' ' ' GLY . 9.0 t0 -102.16 -151.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.32 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 41.33 47.38 4.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.574 1.171 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -156.91 165.53 35.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.7 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.0 m95 -108.53 143.11 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.88 155.08 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.424 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -123.38 147.71 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -141.19 126.29 18.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.28 111.37 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.34 57.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.35 45.21 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.607 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.603 HG21 ' CD2' ' A' ' 58' ' ' LEU . 7.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 84' ' ' ALA . 29.8 mt -115.92 145.61 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 85' ' ' LEU . 14.4 tp -127.18 104.11 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 41.0 m-80 68.14 -67.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 11.5 p -165.11 43.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.19 134.25 11.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.79 122.8 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 80' ' ' LEU . 46.8 mt -68.73 176.76 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.6 147.33 63.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -35.14 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' HG1' ' A' ' 89' ' ' THR . 48.3 mt-10 -91.51 23.56 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 28.0 m -153.15 140.1 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.12 125.35 47.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.15 148.56 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 15.2 p-10 -84.26 113.71 21.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -49.75 164.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.2 161.06 27.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.25 100.17 3.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 112.16 19.88 6.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.34 123.62 33.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.19 123.74 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.81 104.1 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -94.89 105.47 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.3 164.15 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -132.04 24.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt-10 -95.03 -69.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -131.78 50.54 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 53' ' ' ILE . 5.3 m -114.33 116.43 28.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.2 m -117.55 132.15 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 101' ' ' LEU . 12.3 mt -119.1 124.25 72.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.576 HD21 ' HA2' ' A' ' 96' ' ' GLY . 2.3 tt -92.32 136.27 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 93' ' ' LEU . 59.4 t -101.51 121.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -128.37 127.8 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -89.41 108.89 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.33 35.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.728 ' HB2' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -67.08 152.63 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 35' ' ' ILE . 24.6 tp -91.47 110.03 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.598 ' NH2' HG12 ' A' ' 112' ' ' VAL . 6.4 ttp180 -104.32 101.75 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 107' ' ' ILE . 72.2 mt -88.72 108.84 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -100.43 125.26 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 48' ' ' ILE . 9.1 m-85 -82.64 90.34 6.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.7 m -76.98 -29.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -136.26 -177.32 4.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.91 -173.24 39.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -75.02 -14.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.65 7.44 42.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -44.13 114.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.24 4.33 25.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.16 165.95 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.08 142.13 15.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.82 172.95 10.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -148.56 140.18 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' OH ' HD11 ' A' ' 46' ' ' ILE . 73.7 m-85 -143.32 145.54 32.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.31 164.58 58.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.15 13.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.27 14.23 42.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -112.29 105.59 13.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.043 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -62.26 122.5 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -105.07 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -85.34 107.8 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG23 HD12 ' A' ' 60' ' ' ILE . 24.0 t -98.89 124.96 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.49 -153.79 6.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -103.0 -38.99 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 55' ' ' THR . 13.6 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' OH ' ' A' ' 29' ' ' TYR . 45.4 mt -135.99 134.92 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.93 113.92 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 mt -101.92 104.39 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 61.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.3 t0 -90.05 -77.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 162.4 -59.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.49 -15.9 19.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.02 158.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.26 169.55 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HG12 ' A' ' 40' ' ' ILE . 21.7 p -46.61 -62.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.9 t-160 -65.41 -66.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -148.49 172.49 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -134.5 132.93 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD12 ' A' ' 69' ' ' ILE . 8.4 mt -106.49 133.21 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -115.66 162.2 17.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.2 t0 -121.43 94.53 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -141.76 34.39 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 62' ' ' SER . 15.6 m120 -142.71 164.42 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.42 136.26 49.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -137.47 149.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.543 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -119.48 147.58 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -139.3 128.99 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 8.0 t0 -86.56 104.91 16.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -72.07 58.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.82 46.19 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.612 HG21 HD23 ' A' ' 58' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 84' ' ' ALA . 20.9 mt -120.61 137.25 54.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' CD2' HD21 ' A' ' 85' ' ' LEU . 12.4 tp -121.5 110.6 16.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 60.07 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -144.95 60.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -177.61 143.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.786 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.71 122.68 29.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 80' ' ' LEU . 87.5 mt -64.35 166.75 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.72 147.3 45.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -75.04 -36.03 2.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.57 15.0 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -140.83 138.03 33.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.87 126.16 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.76 164.71 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 8.6 p30 -94.94 112.73 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.641 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -47.12 156.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.96 158.7 24.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 113.55 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.27 17.77 19.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' HD11 ' A' ' 80' ' ' LEU . 6.3 m-20 -88.67 121.12 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.2 t -92.51 122.82 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mt -103.55 102.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 104.63 16.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 105' ' ' THR . 1.0 OUTLIER -126.6 161.17 28.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.53 -139.86 28.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -91.42 -64.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -131.94 41.41 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 2.7 m -108.1 123.57 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.727 ' HB2' HG23 ' A' ' 18' ' ' VAL . 31.3 m -128.24 136.72 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 15' ' ' LEU . 41.4 mt -122.84 135.68 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.5 tp -101.79 140.89 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.641 HG21 HD22 ' A' ' 93' ' ' LEU . 75.4 t -106.29 111.77 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -121.19 125.03 46.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -84.4 110.21 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 12' ' ' SER . 31.0 m . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 2.6 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.72 32.85 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -64.48 146.3 54.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -92.06 110.94 22.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.9 ttt180 -109.99 113.52 26.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 46' ' ' ILE . 78.3 mt -93.88 109.54 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 76.1 t -98.45 129.9 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 10.3 m-85 -88.57 83.79 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.9 m -70.77 -32.18 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -135.72 -178.32 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.57 -171.67 27.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.4 14.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -100.18 11.14 40.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 51.0 tt0 -43.4 114.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 1.89 19.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.49 163.15 12.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.68 141.06 16.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.81 170.9 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 1.1 p30 -148.78 148.85 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 45' ' ' GLU . 65.6 m-85 -146.61 179.34 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 165.39 14.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.96 130.91 13.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 12.65 55.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -107.51 115.97 31.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -72.1 125.05 26.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.8 mp -109.26 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.15 104.09 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 25.9 t -93.96 123.2 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.06 -155.29 6.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -102.15 -36.55 8.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.743 HG12 HG22 ' A' ' 55' ' ' THR . 29.3 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.58 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.514 ' CD1' HD12 ' A' ' 15' ' ' LEU . 86.7 mt -141.15 139.81 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.34 143.17 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 53' ' ' ILE . 13.3 mt -132.19 132.28 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -99.9 65.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.9 t70 -108.37 -9.86 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.6 -54.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.25 -30.28 5.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -86.05 168.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.554 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.3 -178.91 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.743 HG22 HG12 ' A' ' 40' ' ' ILE . 41.9 p -77.56 113.94 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 70.81 29.49 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.3 t60 -39.23 -50.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.62 167.33 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 72' ' ' LEU . 10.8 ptt180 -130.62 142.2 50.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.419 HG12 HD12 ' A' ' 69' ' ' ILE . 83.9 mt -107.72 131.62 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 167.4 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.3 t -127.64 138.53 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' ASN . 7.3 t70 -145.39 161.19 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.02 54.32 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.35 37.91 8.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.5 m-80 -144.77 168.98 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 85.7 m95 -113.28 139.78 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.87 158.67 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -125.46 147.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.7 127.43 19.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.088 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -84.25 109.68 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -69.98 59.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.96 51.19 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 18.1 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HD12 ' A' ' 85' ' ' LEU . 24.1 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 84' ' ' ALA . 40.9 mt -116.02 143.34 45.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 97' ' ' ASP . 14.0 tp -127.26 103.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 67.93 -67.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 36.6 t -164.36 46.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -157.47 135.69 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.83 123.6 28.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 78' ' ' THR . 34.5 mt -69.07 173.51 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.15 152.12 77.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.23 2.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.9 20.89 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.2 m -144.34 145.28 31.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -126.44 126.94 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.79 149.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -90.89 116.46 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 109' ' ' VAL . 55.2 mt -50.4 178.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.5 149.77 16.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.1 t70 -63.85 108.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.589 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 109.28 12.06 20.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 80' ' ' LEU . 9.6 m-20 -87.48 121.39 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.82 124.36 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 80' ' ' LEU . 28.8 mt -104.69 106.24 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.34 105.72 17.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.46 170.56 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.63 -124.88 22.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -109.03 -57.99 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -136.89 40.89 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -106.91 120.01 40.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.797 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.8 m -120.79 133.73 55.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.61 127.6 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD21 ' HA2' ' A' ' 96' ' ' GLY . 1.6 tt -96.42 137.58 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.916 HG21 HD22 ' A' ' 93' ' ' LEU . 54.1 t -98.57 116.07 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.468 ' OD1' HD22 ' A' ' 108' ' ' LEU . 1.6 m120 -123.99 135.24 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.7 m-85 -98.27 113.33 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' PRO . 5.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.09 26.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -57.59 158.37 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.651 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -103.73 110.83 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -111.32 107.96 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 13' ' ' LEU . 68.9 mt -91.17 109.3 20.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.06 126.28 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 49.6 m-85 -84.28 88.04 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.7 m -71.83 -31.53 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 18.5 mttt -136.84 -170.93 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 88.59 -173.0 41.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.5 Cg_endo -74.97 -16.48 20.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -106.36 18.86 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 35.7 tt0 -53.22 117.07 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.52 -2.48 24.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.58 157.73 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.33 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 46' ' ' ILE . 1.6 mt -130.57 174.23 10.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -149.03 146.4 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' A' ' 46' ' ' ILE . 77.7 m-85 -143.93 175.21 10.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -93.84 163.35 24.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.04 127.07 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.79 38.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -111.79 108.06 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 0.784 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.4 m -61.55 128.48 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.651 HD13 HD12 ' A' ' 13' ' ' LEU . 3.3 mt -113.96 94.73 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -77.93 108.73 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.487 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 79.3 t -96.53 120.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.35 -148.15 5.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt-85 -106.72 -25.89 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' A' ' 29' ' ' TYR . 40.8 mt -131.25 143.13 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -137.61 156.15 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.9 mt -132.68 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 72.13 9.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.849 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -145.84 118.97 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.8 -29.44 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' ' OD2' ' A' ' 50' ' ' ASP . . . -61.26 -23.11 61.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 50' ' ' ASP . 7.6 mt -106.37 139.25 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.5 172.15 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -53.01 -48.37 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.21 58.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -56.54 -67.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.3 OUTLIER -147.5 173.1 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' A' ' 70' ' ' GLN . 15.3 ttt-85 -132.54 137.06 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.09 134.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -145.86 170.84 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.1 t -127.04 141.27 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -147.74 155.75 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.24 63.15 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.5 46.51 2.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -155.3 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 90.1 m95 -112.01 141.74 45.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.34 147.82 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -111.69 144.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.52 ' NE2' HD12 ' A' ' 72' ' ' LEU . 4.2 tt0 -135.47 120.29 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.25 107.2 18.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.69 58.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 33.66 44.37 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.6 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.516 HG21 ' CD2' ' A' ' 58' ' ' LEU . 86.1 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 84' ' ' ALA . 16.0 mt -95.78 146.28 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.3 tp -127.2 104.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.3 m-80 67.33 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 28.9 p -163.8 59.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.78 136.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.554 ' CA ' HD23 ' A' ' 79' ' ' LEU . . . -79.57 117.22 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 13.9 mt -57.95 179.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -131.59 140.87 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -26.82 10.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.2 32.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.5 m -157.8 152.28 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.0 p -122.17 125.6 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -103.67 159.0 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.58 109.78 21.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 109' ' ' VAL . 46.5 mt -48.37 165.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.97 23.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 3.2 t0 -64.44 116.01 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.05 20.03 22.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -90.58 125.17 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.11 119.49 46.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.68 112.29 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -97.76 105.09 17.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -126.23 152.26 46.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.95 -135.3 14.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -100.41 -64.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -130.26 50.17 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 48' ' ' ILE . 1.7 m -121.54 123.85 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.3 m -125.39 139.36 53.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.421 HG21 HD22 ' A' ' 15' ' ' LEU . 46.4 mt -122.29 139.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.3 tp -109.1 139.84 43.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 108' ' ' LEU . 67.0 t -104.54 123.57 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -129.42 129.33 44.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.1 m-85 -91.84 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.1 23.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.646 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -56.73 154.6 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 67' ' ' TRP . 16.2 tp -90.93 110.14 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -108.89 101.79 10.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 38.4 mt -90.26 120.45 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.98 124.86 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 42.2 m-85 -84.93 94.44 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -80.95 -24.84 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -134.78 -171.87 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 80.15 -173.47 54.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.95 -23.13 14.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -87.05 -2.93 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -36.13 116.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.12 -3.38 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.02 151.69 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -148.92 157.03 43.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -137.84 174.54 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -149.16 135.64 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.16 145.24 39.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -70.76 165.46 46.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 134.58 18.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.4 14.16 54.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.0 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' ILE . 87.0 m -68.25 130.02 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.654 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -115.32 100.59 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 100.96 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 8.8 t -90.46 123.96 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.19 -160.28 9.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -29.97 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.524 HG23 HG22 ' A' ' 55' ' ' THR . 2.7 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.697 HG12 HD13 ' A' ' 27' ' ' LEU . 23.9 mt -115.5 136.89 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.1 140.4 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.473 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.1 mt -129.75 113.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -75.67 70.6 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.8 t0 -109.01 -81.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 161.54 -57.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.52 -19.26 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB ' ' A' ' 48' ' ' ILE . 11.5 mt -92.89 142.68 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -113.59 156.99 22.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.524 HG22 HG23 ' A' ' 40' ' ' ILE . 75.2 p -37.4 -57.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 69.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.641 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 2.9 t-160 -69.25 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.73 169.88 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 12.3 ptt180 -130.21 151.16 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.495 HG21 ' CD2' ' A' ' 13' ' ' LEU . 46.0 mt -118.71 141.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.19 161.72 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 1.2 t -123.35 144.15 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.05 144.91 27.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.95 52.3 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.07 44.38 25.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 m-20 -149.41 165.47 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.5 m95 -112.05 139.62 47.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.29 151.24 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 tt -121.59 146.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -141.03 124.0 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.4 t70 -84.68 106.76 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -71.79 59.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.78 54.43 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.641 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 95.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 84' ' ' ALA . 39.2 mt -116.3 142.02 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 82' ' ' SER . 15.0 tp -127.18 105.19 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 69.5 m-80 64.72 -72.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -158.52 64.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.68 136.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.82 120.66 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.14 177.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.82 75.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.98 -36.69 2.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 31.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -152.65 143.46 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.5 p -127.84 129.49 47.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 t -111.0 163.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -97.47 113.82 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.605 HD22 HG21 ' A' ' 109' ' ' VAL . 51.5 mt -47.63 152.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 152.87 23.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t0 -68.14 120.95 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 94.61 17.91 37.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.54 119.12 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.9 t -88.04 125.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.92 100.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.37 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.2 pt? -126.01 160.34 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 -134.84 18.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' A' ' 51' ' ' ALA . 29.9 mt-10 -95.92 -68.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.5 m-85 -129.19 45.33 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 1.7 m -112.64 125.8 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.578 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.7 m -128.25 139.11 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.943 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.563 ' CD1' HD21 ' A' ' 101' ' ' LEU . 11.6 mt -125.37 127.25 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.576 HD21 ' HA2' ' A' ' 96' ' ' GLY . 2.0 tt -95.88 133.51 39.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 71.5 t -97.57 116.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.485 ' OD1' HD22 ' A' ' 108' ' ' LEU . 1.5 m120 -123.99 125.33 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 10.2 m-85 -85.8 113.92 22.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.646 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 17.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 31' ' ' PRO . 52.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.58 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.641 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.6 151.51 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -90.49 110.4 21.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -105.25 108.72 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 107' ' ' ILE . 73.7 mt -92.93 110.79 22.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -101.26 124.99 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 8.2 m-85 -85.26 88.17 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.723 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.8 m -75.47 -30.35 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -138.51 171.0 15.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.96 -169.06 19.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.83 14.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.34 4.85 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.66 115.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 7.06 32.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.74 164.23 11.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.48 132.54 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.78 170.78 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -148.69 144.85 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' OH ' ' CG1' ' A' ' 46' ' ' ILE . 74.6 m-85 -146.75 147.83 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -69.49 160.67 78.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.0 132.88 15.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.96 7.75 56.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -106.18 119.15 38.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.7 m -73.46 119.36 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.756 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.3 mt -104.66 94.84 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 105.12 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 58' ' ' LEU . 10.4 t -90.27 116.7 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.53 -157.58 7.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -103.62 -37.31 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.756 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' OH ' ' A' ' 29' ' ' TYR . 96.6 mt -141.4 138.97 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.04 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.901 ' HB ' HD13 ' A' ' 53' ' ' ILE . 11.4 mt -128.58 125.19 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -95.71 72.88 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.639 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -120.47 -0.53 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.22 -63.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.65 -27.32 0.31 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.901 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -89.35 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.57 173.44 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -49.17 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 62.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 6.1 t-80 -59.62 -66.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 ' OG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -150.86 172.2 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -135.04 140.66 45.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 46.3 mt -113.56 137.97 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -149.77 166.74 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.6 t -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -147.6 155.62 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.85 60.53 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 40.49 44.23 3.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -152.78 168.27 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 94.1 m95 -111.09 144.3 40.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.61 154.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HD21 ' A' ' 93' ' ' LEU . 2.7 tt -122.65 146.92 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -138.3 126.81 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 3.6 t70 -85.84 105.15 16.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -70.62 59.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 36.28 36.87 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 57' ' ' HIS . 5.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.573 ' OG1' HD23 ' A' ' 58' ' ' LEU . 12.0 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 84' ' ' ALA . 36.4 mt -123.23 141.85 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 8.8 tp -127.41 110.2 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER 66.83 -69.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -166.6 50.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -164.68 136.98 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.673 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -77.56 120.76 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 80' ' ' LEU . 58.8 mt -60.93 173.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.6 147.24 55.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.02 -37.9 1.81 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.451 1.764 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.29 23.56 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.5 m -144.79 149.38 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.7 p -125.76 124.18 40.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.6 t -106.6 147.52 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -88.7 114.87 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 HD21 ' HB ' ' A' ' 69' ' ' ILE . 76.3 mt -52.37 168.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.0 155.47 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.6 107.99 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.15 8.93 21.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.7 m-20 -81.73 120.87 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.27 112.51 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 80' ' ' LEU . 34.8 mt -93.01 105.94 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -97.34 104.76 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.21 168.68 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.21 -138.36 32.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -96.09 -56.25 2.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -137.83 38.79 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.3 m -103.63 123.2 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.723 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -126.4 130.23 50.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.476 HG21 HD22 ' A' ' 15' ' ' LEU . 25.0 mt -119.96 130.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -98.29 139.38 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.724 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.3 t -101.95 113.82 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -122.82 122.48 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -83.66 112.4 20.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.641 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 19.4 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 36.9 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.36 36.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -70.39 144.46 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -91.62 110.63 21.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -115.96 107.92 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 30.5 mt -89.45 122.21 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.21 125.07 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 57.9 m-85 -84.98 93.38 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 106' ' ' SER . 3.7 m -77.57 -29.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 10.9 mttt -134.86 -175.54 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 -169.42 40.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.97 -28.77 8.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.02 -0.67 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.93 114.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 -7.37 28.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.05 153.04 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -152.59 155.13 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -135.5 171.56 14.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -147.56 136.83 22.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -135.94 170.98 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -94.6 166.67 14.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 126.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.768 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.06 13.23 29.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -112.53 112.68 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 93.5 m -71.09 113.74 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 46' ' ' ILE . 2.6 mp -95.56 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.06 107.21 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.614 ' CG2' HD12 ' A' ' 60' ' ' ILE . 19.0 t -94.67 114.87 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.64 -160.02 8.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -101.93 -56.5 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.725 HG12 HG22 ' A' ' 55' ' ' THR . 6.6 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.587 HG12 HD13 ' A' ' 27' ' ' LEU . 44.3 mt -113.51 140.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.33 132.33 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 17' ' ' PHE . 5.5 mt -129.86 119.56 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -91.92 72.73 5.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 25.8 t0 -111.57 9.93 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 73.36 -59.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.84 -22.38 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.487 HD13 ' HB ' ' A' ' 48' ' ' ILE . 48.9 mt -96.59 139.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 163.6 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.725 HG22 HG12 ' A' ' 40' ' ' ILE . 22.5 p -42.09 -65.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.98 68.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.644 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.7 t-160 -67.53 -63.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.43 170.5 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -137.25 139.02 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.614 HD12 ' CG2' ' A' ' 37' ' ' VAL . 12.5 mt -102.15 132.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 166.64 24.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.27 153.56 37.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -120.69 109.1 14.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.68 -83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.4 24.14 3.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -128.84 159.81 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 89.8 m95 -113.61 138.76 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.64 158.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -123.53 142.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -138.95 124.57 19.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 30.1 t0 -84.83 106.31 16.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.56 60.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.65 56.96 0.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.644 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 6.0 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.652 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.5 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.9 mt -115.95 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' SER . 36.3 tp -126.33 109.57 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 61.4 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.6 m -148.53 60.65 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -175.61 142.06 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.761 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -85.87 124.19 32.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.652 HD12 ' CG2' ' A' ' 78' ' ' THR . 37.4 mt -67.04 172.38 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.64 152.43 77.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -74.98 -35.91 2.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -93.77 27.3 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -146.76 146.2 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.1 p -126.4 128.18 46.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -110.63 157.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -96.82 124.03 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 93' ' ' LEU . 24.2 mt -63.81 164.95 9.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 109' ' ' VAL . . . -146.26 -168.1 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.9 116.85 32.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.21 22.08 30.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.19 121.86 28.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.87 123.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.404 HG12 HD13 ' A' ' 80' ' ' LEU . 18.7 mt -106.71 108.14 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -97.84 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 107' ' ' ILE . 0.8 OUTLIER -125.19 171.03 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.47 -127.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -102.89 -54.27 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -143.17 30.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -92.1 117.69 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.0 m -117.27 128.37 55.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.503 ' CD1' HD21 ' A' ' 101' ' ' LEU . 34.1 mt -114.84 142.95 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.7 tp -109.24 142.33 40.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.8 t -104.96 113.81 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.02 128.11 53.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -93.35 106.86 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.42 113.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.5 98.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.06 -141.41 4.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -122.97 -61.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.34 136.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.0 114.82 4.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -86.69 139.91 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -107.52 -8.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 8.3 m -95.52 119.16 65.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.99 27.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -63.27 147.75 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 35' ' ' ILE . 42.9 tp -91.8 114.76 27.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.9 ttt180 -113.55 103.38 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 107' ' ' ILE . 69.2 mt -87.24 111.25 20.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.7 124.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.0 m-85 -82.21 88.83 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.0 m -74.78 -32.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.63 -178.39 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -172.28 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.4 20.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.54 3.37 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -39.33 115.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.29 1.75 24.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.51 162.94 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.85 141.35 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -125.23 169.8 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.62 134.58 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.09 162.9 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -84.12 163.76 46.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.96 130.38 13.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.58 19.29 38.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.12 107.35 15.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 m -60.94 129.58 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.0 mt -116.53 96.18 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.64 106.25 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 47.8 t -93.95 119.11 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.14 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 4.5 ttt180 -101.12 -43.29 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 42' ' ' ARG . 16.8 pt -97.26 139.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.56 -35.84 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' HB2' HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -42.14 115.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.47 65.47 2.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -168.0 135.82 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 0.769 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.721 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -69.78 -36.75 76.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.89 138.53 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -131.51 127.94 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.79 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.2 mt -120.37 129.32 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.69 65.03 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' ILE . 5.4 t0 -108.95 4.57 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 72.11 -60.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.76 -24.69 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' A' ' 48' ' ' ILE . 7.8 mt -92.28 139.54 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.05 159.16 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 HG12 ' A' ' 40' ' ' ILE . 65.7 p -38.7 -58.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 2.9 t-160 -71.16 -65.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -153.18 170.33 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB3' HD21 ' A' ' 72' ' ' LEU . 9.1 ptt180 -132.31 143.22 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.468 HG21 HD21 ' A' ' 13' ' ' LEU . 50.1 mt -106.77 135.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -148.94 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.349 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 163.49 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -127.03 95.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.12 -81.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.24 42.16 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -153.69 168.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.651 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.3 m95 -112.4 141.52 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.3 m -139.56 154.94 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.0 145.52 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -139.74 125.28 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' GLY . 37.9 t0 -84.3 106.26 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -69.97 60.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.53 50.27 1.0 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 79.6 p -58.93 161.51 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 70.87 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 162.9 -54.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.05 147.53 9.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.449 HG21 ' CD2' ' A' ' 58' ' ' LEU . 25.8 m -102.3 145.18 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 84' ' ' ALA . 34.7 mt -116.98 143.05 46.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 85' ' ' LEU . 24.0 tp -127.08 104.92 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 66.0 m-80 66.64 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.4 t -162.3 47.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -158.67 136.3 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.776 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.78 122.82 28.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 80' ' ' LEU . 29.9 mt -70.24 170.85 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.68 154.52 81.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.12 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.553 1.818 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.57 19.39 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 m -140.51 141.39 35.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 82.8 p -122.19 131.49 53.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.66 157.22 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -98.33 126.01 43.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 109' ' ' VAL . 82.6 mt -64.84 161.77 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -139.97 -167.53 11.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 104.65 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.17 27.13 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.22 124.62 34.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -94.61 127.06 46.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mt -108.68 106.99 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -99.13 105.57 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.57 167.6 14.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.7 -131.57 26.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -100.75 -63.49 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -133.27 48.94 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 m -114.67 121.29 42.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.724 ' HB2' HG23 ' A' ' 18' ' ' VAL . 28.8 m -122.9 135.2 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.475 HG21 HD22 ' A' ' 15' ' ' LEU . 19.3 mt -122.73 132.13 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.7 tp -100.17 134.26 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 75.6 t -98.55 120.74 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.56 130.63 49.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.448 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 14.3 m-85 -91.83 106.6 18.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -92.88 113.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -119.6 107.58 13.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.8 174.0 20.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 146.87 33.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.0 p -43.67 127.54 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 p -66.84 152.68 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.66 95.57 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -174.86 130.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.8 67.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -108.39 161.6 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -133.86 140.6 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.6 -103.42 0.17 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 tpt 66.64 92.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -86.95 1.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m -134.94 115.41 12.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.06 29.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -64.07 148.99 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 67' ' ' TRP . 27.2 tp -91.88 113.21 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -112.24 102.75 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 ' CG2' ' A' ' 107' ' ' ILE . 80.2 mt -89.52 109.5 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.36 132.27 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.54 87.09 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.756 HG11 HD12 ' A' ' 108' ' ' LEU . 4.2 m -71.25 -34.09 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 14.3 mttt -135.72 -177.26 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 95.27 -171.95 30.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.63 18.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -104.41 15.65 27.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.12 115.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.75 0.05 23.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.31 165.13 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.21 151.98 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -131.62 172.22 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.11 135.93 20.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 35' ' ' ILE . 97.4 m-85 -139.71 153.66 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.31 164.27 60.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.5 Cg_endo -74.99 130.32 13.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.31 6.66 56.57 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.99 106.21 16.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 60' ' ' ILE . 25.1 m -61.7 129.65 42.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.638 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -114.54 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 118.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 32.8 t -103.54 118.32 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.01 -155.29 6.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -109.32 -24.58 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.54 HD12 ' O ' ' A' ' 42' ' ' ARG . 4.9 pt -109.67 131.69 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 47' ' ' ALA . 5.6 m -61.02 -36.82 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -75.78 99.58 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.59 -57.88 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.72 156.18 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -64.44 -61.34 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.7 mt -93.4 137.43 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -132.31 127.95 36.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.84 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.4 mt -119.67 131.81 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.1 65.71 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.3 t0 -109.76 -6.85 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.44 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -26.14 24.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.7 mt -92.37 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.2 160.05 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 55' ' ' THR . 73.8 p -40.59 -60.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 71.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 4.3 t60 -75.52 -65.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -153.87 170.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -136.7 144.05 43.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 34' ' ' THR . 13.0 mt -108.01 140.83 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.31 167.88 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.78 143.96 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -144.22 154.62 43.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.56 61.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 42.4 42.67 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -149.72 168.56 23.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.38 147.14 33.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.33 147.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.0 142.09 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -142.11 121.56 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -90.91 114.53 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.25 56.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.2 50.37 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -41.12 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -174.76 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -69.46 -49.51 54.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.67 132.87 4.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.725 ' HB ' HD12 ' A' ' 85' ' ' LEU . 6.4 m -93.21 135.49 34.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 84' ' ' ALA . 12.5 mt -111.68 148.47 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 97' ' ' ASP . 46.9 tp -126.57 112.3 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 60.98 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 20.2 m -148.65 64.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t30 179.56 147.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.9 133.98 33.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.725 HD12 ' HB ' ' A' ' 78' ' ' THR . 48.5 mt -71.94 -175.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -143.93 140.04 16.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.44 12.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -100.9 29.24 4.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.9 m -156.99 152.63 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -125.41 127.78 47.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.5 t -109.21 157.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -95.93 122.65 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 109' ' ' VAL . 30.9 mt -58.95 157.84 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.32 156.51 26.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 123.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 88.64 23.5 36.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.552 ' HB3' HD11 ' A' ' 80' ' ' LEU . 7.2 m-20 -94.94 122.53 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -90.49 130.39 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 109' ' ' VAL . 22.9 mt -109.4 109.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -97.6 105.71 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HB3' HG23 ' A' ' 78' ' ' THR . 1.2 pt? -125.29 170.16 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.47 -109.57 2.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -119.78 -68.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -114.95 -28.33 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 2.1 m -38.32 131.08 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.756 ' HB2' HG23 ' A' ' 18' ' ' VAL . 41.7 m -134.79 134.47 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.423 ' CG2' HD22 ' A' ' 15' ' ' LEU . 33.4 mt -119.84 134.09 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 HG11 ' A' ' 18' ' ' VAL . 1.2 tt -102.62 138.43 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 93' ' ' LEU . 75.0 t -102.24 119.03 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -128.84 128.46 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -91.1 113.94 26.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.84 116.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.8 t -88.04 159.29 18.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.67 154.95 45.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 66.52 6.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.5 p -63.79 -55.99 18.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.046 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 t -107.5 129.91 54.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.036 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -74.16 144.53 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m 48.95 86.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 93.77 0.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 -62.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.35 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 -84.74 1.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.26 134.48 43.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 m -68.92 -17.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 31' ' ' PRO . 22.2 m -81.45 120.33 77.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.72 29.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -66.02 147.75 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 60' ' ' ILE . 48.3 tp -91.79 114.98 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 4.8 ttt180 -113.82 99.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 60' ' ' ILE . 77.8 mt -82.91 111.26 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -99.71 124.98 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 15.2 m-85 -83.68 88.49 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.765 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -73.87 -33.25 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.6 -170.23 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.31 -170.52 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.95 -22.27 15.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -93.19 3.43 55.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.02 114.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.66 1.46 29.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.94 159.67 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.98 132.78 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.4 mt -116.83 170.24 8.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -148.46 133.81 18.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.99 159.46 41.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 164.28 55.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 130.28 13.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.71 16.84 43.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.24 110.8 20.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.2 m -63.96 125.91 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.551 HD13 HD23 ' A' ' 13' ' ' LEU . 3.3 mt -112.35 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -76.58 111.96 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 37.8 t -100.48 110.85 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.73 -151.95 7.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt180 -105.88 -32.39 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 55' ' ' THR . 23.8 pt -101.47 141.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.31 -35.74 64.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.71 112.74 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.21 -47.53 1.03 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-80 -107.84 149.53 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.66 -63.13 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -93.99 137.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -132.67 127.31 34.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.83 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.9 mt -118.6 123.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -91.98 62.74 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.1 t70 -105.7 -8.14 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.89 -52.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.99 -17.9 10.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.83 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.3 mt -100.69 138.19 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -100.01 159.92 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 40' ' ' ILE . 16.4 p -44.27 -35.3 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -132.51 68.06 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.5 t60 -67.26 -66.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -150.06 170.81 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.1 ptt180 -133.79 138.39 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 13' ' ' LEU . 74.8 mt -102.48 138.41 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.23 165.42 31.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.54 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 29.4 t -125.89 147.56 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.5 m-20 -156.89 160.65 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.57 53.98 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.5 37.69 6.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.8 m120 -148.07 165.19 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.605 ' CE3' HD22 ' A' ' 13' ' ' LEU . 93.8 m95 -106.88 148.5 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.15 151.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 tt -117.83 145.84 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -140.91 123.17 15.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 12.3 t0 -84.84 106.94 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -69.91 61.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 37.08 45.75 1.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.634 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 96.1 p -63.12 172.16 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.1 m -75.58 150.54 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 69.3 -63.92 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 133.86 153.0 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.5 ' CG2' HD12 ' A' ' 85' ' ' LEU . 60.7 m -95.91 159.48 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 84' ' ' ALA . 30.5 mt -134.03 130.75 37.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.506 HD12 ' OD1' ' A' ' 97' ' ' ASP . 49.9 tp -117.53 113.21 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 62.23 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -151.53 57.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -173.57 141.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.99 124.17 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 78' ' ' THR . 82.9 mt -65.79 176.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.98 148.69 65.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.05 23.81 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 m -153.13 140.79 19.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.12 129.7 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.2 158.64 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.67 131.27 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 109' ' ' VAL . 53.5 mt -69.08 156.81 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.77 149.07 20.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.94 125.04 25.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 0.801 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.95 3.03 58.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -73.61 153.62 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.32 109.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.74 110.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.53 105.82 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.27 164.14 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.93 -134.63 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.88 -66.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -128.67 49.87 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 m -117.39 122.39 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.765 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -123.33 133.67 54.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.56 ' CD1' HD21 ' A' ' 101' ' ' LEU . 33.7 mt -120.52 135.51 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 109' ' ' VAL . 5.3 tp -102.91 144.05 31.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.659 ' H ' HD12 ' A' ' 108' ' ' LEU . 73.2 t -104.35 121.66 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.79 127.45 42.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.6 m-85 -93.68 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 37.0 t -95.3 126.94 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.7 t -114.86 -45.43 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.67 -170.68 12.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.19 41.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -154.16 164.73 38.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.0 t 51.31 88.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.29 80.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t 61.82 155.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.16 172.04 45.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 m 61.2 158.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 161.89 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.01 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.74 98.29 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -86.42 170.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 31' ' ' PRO . 47.2 m 63.76 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.42 36.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.04 147.75 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 HD13 ' A' ' 35' ' ' ILE . 46.7 tp -91.74 120.49 32.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.595 HH21 HG22 ' A' ' 112' ' ' VAL . 9.7 ttm180 -118.89 100.82 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 72.8 mt -86.11 109.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.83 127.0 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.01 90.26 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.736 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -76.11 -30.63 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -136.06 -176.42 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.44 -172.25 39.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.16 19.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 4.22 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.33 115.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.52 -4.39 26.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.12 158.75 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -157.13 136.62 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -121.56 168.72 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' TYR . 44.0 t0 -146.07 141.12 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 98.2 m-85 -141.78 163.06 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 162.33 56.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.01 128.13 11.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.67 9.35 46.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.4 106.07 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.736 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 m -61.23 120.82 11.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.671 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -106.8 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLU . 24.5 mtp180 -75.94 112.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.5 t -98.29 121.0 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.66 -154.98 6.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -107.99 -32.07 7.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 55' ' ' THR . 42.2 pt -97.69 140.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' HD2' ' A' ' 42' ' ' ARG . 15.6 m -63.09 -38.57 82.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HD2' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -73.35 133.21 43.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.93 -65.02 1.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-80 -89.93 147.74 23.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ARG . 33.3 mm-40 -66.73 -63.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -91.95 131.75 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.17 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 105' ' ' THR . 7.8 mt -114.82 137.19 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 53.07 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 14.2 t0 -103.83 -17.59 14.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.58 -51.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.01 -24.89 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.769 HG12 HD12 ' A' ' 101' ' ' LEU . 6.2 mt -97.16 145.05 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.84 156.83 17.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.829 HG23 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -39.75 -53.78 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.58 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -152.44 171.72 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.472 ' HB3' HD21 ' A' ' 72' ' ' LEU . 7.6 ptt180 -135.58 143.19 45.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.481 HG21 HD21 ' A' ' 13' ' ' LEU . 87.3 mt -104.73 138.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 165.18 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.4 t -126.66 141.66 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.5 161.55 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.01 52.78 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.46 44.79 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -153.13 168.75 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 31' ' ' PRO . 96.8 m95 -109.09 144.61 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.21 152.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.32 143.72 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -142.29 127.23 18.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.95 113.33 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -74.83 57.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.31 65.93 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -97.63 165.32 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' GLY . 68.2 m -61.03 166.4 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 60.62 -83.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 141.41 154.64 6.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 58' ' ' LEU . 5.5 m -95.12 140.38 30.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 84' ' ' ALA . 44.4 mt -117.73 141.19 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 97' ' ' ASP . 21.1 tp -126.93 105.46 8.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 59.5 m-80 67.31 -68.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -164.61 54.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -167.67 135.29 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.676 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.3 120.15 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.01 171.87 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.4 152.85 81.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.23 2.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.22 24.25 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.8 m -144.63 142.55 30.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.411 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 80.4 p -126.34 130.71 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.42 152.37 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -89.58 121.02 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 109' ' ' VAL . 63.3 mt -55.23 160.81 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.15 149.57 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -63.76 114.48 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.42 13.63 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.9 m-20 -84.11 125.48 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.65 125.21 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.4 mt -107.78 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -99.6 106.1 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.769 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.12 163.69 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.66 -126.13 10.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.53 -68.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -128.71 53.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.406 HG21 HD13 ' A' ' 48' ' ' ILE . 2.6 m -120.68 121.16 37.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 18.1 m -122.36 135.24 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.08 134.1 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.3 tp -100.59 140.2 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 65.9 t -105.01 119.78 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.95 131.18 53.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 11.9 m-85 -93.14 107.76 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HH21 ' A' ' 14' ' ' ARG . 23.7 t -87.77 110.26 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.44 116.24 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.0 -164.03 32.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.13 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.68 94.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 p -60.58 -58.43 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 p -146.17 143.49 29.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -131.23 105.15 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.3 -60.78 1.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m 58.43 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 p -170.2 166.51 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.945 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.98 145.39 15.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -179.21 156.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 9' ' ' VAL . 25.3 m 33.2 89.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 31' ' ' PRO . 94.6 m 67.18 120.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.38 36.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -64.57 148.18 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 35' ' ' ILE . 56.6 tp -91.34 115.59 28.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.8 ttt180 -113.43 102.7 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 107' ' ' ILE . 71.9 mt -87.13 111.95 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.72 124.57 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.45 83.96 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.4 m -70.51 -33.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.0 mttm -136.77 179.13 6.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.48 -172.97 24.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -15.43 20.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -109.5 16.81 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -48.21 118.5 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.27 5.59 22.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.55 163.18 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.89 132.18 10.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -117.62 169.34 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.92 145.61 27.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -147.19 166.72 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 162.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 129.16 12.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.15 13.28 53.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.84 108.8 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -62.59 119.78 9.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 3.4 mt -107.1 94.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -76.55 114.86 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 15.1 t -103.47 129.11 55.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -148.11 -146.18 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.5 ttt180 -110.31 -41.7 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.67 144.04 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -68.0 -37.55 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 120.79 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.15 -62.63 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.85 148.44 22.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' ARG . 67.6 mm-40 -62.32 -61.11 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.0 mt -95.45 140.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -133.14 146.1 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.854 ' HB ' HD13 ' A' ' 53' ' ' ILE . 27.1 mt -136.56 119.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -88.2 68.83 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -119.19 -3.05 10.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.72 -60.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.85 -28.75 0.15 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.854 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.2 mt -93.79 140.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.812 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -108.66 162.26 14.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 p -38.43 -64.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 70.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 3.0 t-160 -69.25 -63.73 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -155.73 171.9 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 ptt180 -134.88 141.36 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG21 HD21 ' A' ' 13' ' ' LEU . 89.8 mt -105.69 139.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 166.96 30.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -124.62 140.94 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.1 160.59 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.08 56.14 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.35 44.49 7.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -154.97 167.68 29.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.9 m95 -105.71 147.03 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.11 156.39 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.63 144.07 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -142.21 126.27 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 110.58 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -74.65 57.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.99 55.97 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 4.2 t -50.6 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.62 -62.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -83.74 -45.81 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 168.48 12.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -112.3 139.07 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' ' 84' ' ' ALA . 19.1 mt -109.7 143.64 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 97' ' ' ASP . 26.7 tp -127.25 107.44 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.8 m-80 63.79 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -156.33 47.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -159.29 138.08 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -82.93 124.54 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 80' ' ' LEU . 30.6 mt -73.43 170.27 15.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.44 150.93 75.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.64 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.54 1.81 . . . . 0.0 111.043 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.52 33.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -157.4 146.65 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.8 p -119.66 130.38 55.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.4 t -112.9 149.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -90.75 123.44 34.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 109' ' ' VAL . 49.5 mt -65.93 171.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.33 152.15 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 27.3 t0 -63.02 106.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.98 16.59 9.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.532 ' HB3' HD11 ' A' ' 80' ' ' LEU . 8.3 m-20 -88.45 120.89 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.74 117.88 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.74 109.85 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -100.23 104.86 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.06 171.26 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.77 -129.56 33.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -105.34 -62.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.89 47.94 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.649 HG21 HD13 ' A' ' 48' ' ' ILE . 1.8 m -114.89 121.74 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.811 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.9 m -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.415 ' CG2' HD22 ' A' ' 15' ' ' LEU . 14.3 mt -125.55 132.17 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.655 HD12 ' H ' ' A' ' 109' ' ' VAL . 6.0 tp -100.9 142.31 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -106.64 117.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -125.56 130.24 51.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 19.8 m-85 -92.82 106.33 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.5 t -78.74 106.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.1 -68.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.54 170.95 22.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.78 5.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.03 -62.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.6 p 43.66 84.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -105.17 106.6 17.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 m -162.24 158.94 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.89 166.35 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 p -104.0 -57.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.1 109.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.66 -154.33 14.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.7 130.79 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.67 167.73 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 22.3 m 61.07 123.09 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.11 34.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 149.36 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 HD13 ' A' ' 35' ' ' ILE . 50.8 tp -91.62 115.91 28.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' HG2' HG23 ' A' ' 16' ' ' VAL . 10.2 ttp180 -114.1 104.43 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HG21 ' A' ' 107' ' ' ILE . 79.2 mt -90.46 108.57 19.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' HG2' ' A' ' 14' ' ' ARG . 88.3 t -99.05 124.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -82.22 89.3 6.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.755 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.59 -29.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.4 mttm -138.94 177.04 8.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.76 -170.2 25.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.24 4.17 48.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -39.92 114.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.85 -1.21 25.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.23 158.7 16.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.87 146.53 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD13 HG12 ' A' ' 46' ' ' ILE . 1.4 mt -130.92 172.65 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.1 145.42 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 46' ' ' ILE . 79.4 m-85 -146.34 157.58 43.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -78.5 162.44 65.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.592 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 131.36 14.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.66 15.44 40.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.37 105.44 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 60' ' ' ILE . 17.7 m -60.94 129.14 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.759 HD13 HD23 ' A' ' 13' ' ' LEU . 2.8 mt -114.72 103.7 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -82.29 109.71 16.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 56.3 t -96.41 118.34 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.97 -149.81 5.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 3.8 ttt180 -106.13 -22.17 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 55' ' ' THR . 7.8 pt -115.72 136.76 51.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.954 HG13 ' HB3' ' A' ' 47' ' ' ALA . 3.3 m -77.46 -26.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 41' ' ' VAL . 4.1 mpt_? -31.45 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -95.71 63.49 1.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 71.8 m-20 -169.13 159.12 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.2 mm-40 -80.0 -44.99 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.582 HG12 HD13 ' A' ' 27' ' ' LEU . 35.2 mt -131.45 138.91 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.954 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -130.86 138.83 50.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -115.75 141.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 65.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.669 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -114.84 -10.33 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.43 -52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.57 -20.2 5.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.845 HD13 ' HB ' ' A' ' 48' ' ' ILE . 8.0 mt -95.31 142.78 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.37 154.91 20.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.504 HG22 HG12 ' A' ' 40' ' ' ILE . 68.7 p -39.37 -47.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 69.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 5.9 t-80 -71.61 -65.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -150.75 171.83 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.6 ptt180 -133.51 140.67 47.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 13' ' ' LEU . 13.2 mt -108.06 143.41 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -153.58 170.21 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.363 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 1.2 t -128.13 156.39 42.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.99 157.85 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.18 51.29 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.81 43.15 38.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -150.49 167.44 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 13' ' ' LEU . 94.2 m95 -111.28 143.32 42.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.04 145.09 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.4 148.15 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -142.63 133.53 25.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.2 t70 -86.29 112.99 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -73.41 58.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.08 47.45 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' GLY . 73.7 p -39.44 -90.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -170.32 -56.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -76.48 -47.6 22.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 147.01 7.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 m -93.94 150.57 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 84' ' ' ALA . 46.7 mt -124.94 140.75 52.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 97' ' ' ASP . 19.8 tp -125.1 103.93 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.7 m-80 66.94 -69.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -162.69 58.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -173.99 133.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.17 120.66 21.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.19 174.08 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.86 150.74 69.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.97 -62.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.78 -28.4 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m -96.46 148.82 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.6 p -125.35 142.03 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.65 156.8 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.49 124.44 38.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 109' ' ' VAL . 80.6 mt -62.53 156.53 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.65 151.33 22.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -65.63 110.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.94 12.89 26.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' LEU . 16.0 m-20 -84.82 122.16 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 t -91.65 124.25 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.94 110.21 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -99.79 105.77 17.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.622 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.3 166.78 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.58 -136.96 39.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -91.94 -76.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -122.56 55.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.667 HG21 HD13 ' A' ' 48' ' ' ILE . 4.0 m -118.56 126.21 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.755 ' HB2' HG23 ' A' ' 18' ' ' VAL . 17.4 m -127.55 133.12 49.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.551 HG21 HD22 ' A' ' 15' ' ' LEU . 36.6 mt -119.44 140.45 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.9 tp -109.45 125.36 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.683 HG21 HD22 ' A' ' 93' ' ' LEU . 75.8 t -89.94 120.27 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.3 136.69 52.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.8 m-85 -99.66 106.92 18.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.86 109.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 148.17 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.76 164.21 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.82 3.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.3 t -174.24 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.9 t -113.47 107.65 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -167.39 148.75 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.966 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -128.51 149.54 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.42 109.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.06 -57.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -66.72 114.13 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.96 114.98 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -170.85 131.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -87.13 -11.5 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' PRO . 88.2 m -130.12 119.07 18.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.97 42.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -72.91 145.3 46.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.761 HD21 HG13 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -92.02 110.53 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG2' HG23 ' A' ' 16' ' ' VAL . 24.8 ttp180 -107.51 112.41 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 107' ' ' ILE . 77.9 mt -92.36 107.85 19.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 14' ' ' ARG . 94.7 t -101.98 125.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 84.0 m-85 -83.29 90.28 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.862 HG11 HD12 ' A' ' 108' ' ' LEU . 16.0 m -74.12 -27.52 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -138.4 -174.06 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -171.05 41.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.2 Cg_endo -74.98 -23.61 13.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 1.4 mtt180 -93.2 6.47 47.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -42.72 116.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.15 -5.04 26.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.08 157.98 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.61 134.55 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.35 170.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -147.27 141.06 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -138.48 167.02 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -86.65 163.1 42.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.626 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 124.7 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.76 11.71 36.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -110.32 120.31 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 60' ' ' ILE . 24.9 m -74.77 132.62 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.72 96.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.43 121.23 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 27.4 t -109.94 120.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.27 -149.9 5.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 49' ' ' LYS . 1.1 ttt180 -102.05 -43.57 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 18.6 pt -90.28 144.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.25 -35.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.0 105.44 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -61.0 0.65 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -100.31 147.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -52.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 58.4 mt -97.67 142.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -153.25 119.28 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.653 ' HB ' HD13 ' A' ' 53' ' ' ILE . 1.7 mt -106.05 121.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 12.3 mmmm -85.28 62.15 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.6 t0 -102.2 1.13 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.27 -59.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.34 -25.49 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.653 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -94.35 153.09 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -116.8 155.64 28.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 22.0 p -36.79 -57.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 73.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -75.41 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -156.04 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG2' HD11 ' A' ' 72' ' ' LEU . 13.1 ptt180 -137.0 140.32 42.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 34' ' ' THR . 11.0 mt -105.27 139.15 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 178.45 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 3.1 t -139.32 139.06 37.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.49 -153.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -39.0 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.7 46.26 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -153.99 166.21 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 81.9 m95 -112.87 146.78 38.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.02 152.49 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.546 HD12 ' CG1' ' A' ' 60' ' ' ILE . 2.3 tt -123.78 143.68 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -138.34 126.03 22.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 44.2 t0 -83.62 105.94 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.92 60.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.82 58.87 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 10.4 p -56.05 -177.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -61.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -90.86 -59.45 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.07 168.99 15.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.612 ' CG2' HD12 ' A' ' 85' ' ' LEU . 39.7 m -109.29 139.9 43.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.0 mt -113.26 140.9 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' SER . 27.6 tp -127.26 106.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.2 m-80 62.86 -76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -153.6 61.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -175.43 138.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -83.05 120.4 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 78' ' ' THR . 46.1 mt -64.54 170.32 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.6 153.97 81.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.93 -38.3 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -91.83 34.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -155.61 145.55 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -124.6 126.37 45.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.18 144.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.1 116.73 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 109' ' ' VAL . 83.2 mt -57.84 162.92 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -149.0 153.77 25.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.8 OUTLIER -70.04 106.08 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.1 17.05 7.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 41.7 m-20 -91.75 141.75 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.61 119.15 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mt -100.31 105.33 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -96.01 105.5 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -125.22 161.74 26.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.29 -134.02 18.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.51 -64.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -137.34 49.3 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.47 HG21 HD13 ' A' ' 48' ' ' ILE . 2.5 m -113.45 115.96 28.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.7 ' HB2' HG23 ' A' ' 18' ' ' VAL . 32.2 m -116.08 134.96 54.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.483 HG21 HD22 ' A' ' 15' ' ' LEU . 23.3 mt -120.6 131.37 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.862 HD12 HG11 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.56 143.9 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.761 HG13 HD21 ' A' ' 13' ' ' LEU . 65.1 t -109.6 113.49 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -123.01 133.35 54.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.4 m-85 -92.1 106.86 18.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.423 HG22 ' NH2' ' A' ' 14' ' ' ARG . 25.8 t -92.79 107.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -94.55 -64.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.97 39.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 120.72 6.18 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.436 1.756 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.08 162.03 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.51 160.1 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -137.65 162.23 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -81.96 161.9 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.07 -132.12 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -172.39 131.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -95.71 101.64 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.68 -99.86 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 ptp -53.62 162.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.16 178.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 31' ' ' PRO . 21.9 m 60.96 117.91 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.95 139.22 24.16 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.645 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -57.75 154.51 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 35' ' ' ILE . 17.8 tp -91.18 110.6 21.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.82 99.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 HG21 ' A' ' 107' ' ' ILE . 70.4 mt -88.69 114.18 25.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.12 125.0 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 18.4 m-85 -83.44 90.1 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.4 m -76.14 -31.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 15.1 mttt -134.48 -175.16 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 87.81 -172.82 42.77 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.45 20.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.764 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.3 mtp85 -98.04 3.18 49.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 117.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.13 1.34 33.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.13 158.72 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.04 138.56 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.79 168.35 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.89 137.56 22.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD11 ' A' ' 35' ' ' ILE . 98.7 m-85 -138.55 151.62 47.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -69.51 162.78 64.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.599 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.02 132.43 15.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.62 8.16 61.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 116.68 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.6 m -68.1 118.35 11.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.827 HD13 HD23 ' A' ' 13' ' ' LEU . 3.8 mt -103.57 94.73 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -79.55 105.22 10.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG23 HD12 ' A' ' 60' ' ' ILE . 45.3 t -96.2 125.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.42 -155.04 6.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -103.3 -41.87 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 55' ' ' THR . 3.9 pt -91.23 140.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 47' ' ' ALA . 15.9 m -66.86 -37.62 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 123.66 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 47.28 68.09 1.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 34.3 m-20 -173.81 135.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -67.39 -36.37 81.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mt -138.84 142.21 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -135.91 117.4 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.7 ' HB ' HD13 ' A' ' 53' ' ' ILE . 4.6 mt -108.81 122.3 63.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -90.37 68.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.663 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.1 t70 -109.55 -4.7 16.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.27 -58.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -23.42 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.7 HD13 ' HB ' ' A' ' 48' ' ' ILE . 13.7 mt -93.48 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 166.53 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' ILE . 55.6 p -45.54 -56.94 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -112.47 67.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 5.3 t-80 -65.31 -67.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -147.93 172.62 13.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -135.41 129.07 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.586 HG12 HD12 ' A' ' 69' ' ' ILE . 6.2 mt -105.33 137.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.78 168.15 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.01 171.92 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.27 89.85 2.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.35 -72.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 34.51 1.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.15 165.24 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.638 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.3 m95 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.87 155.37 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.586 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -126.49 147.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -140.35 128.05 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.0 t0 -85.73 105.36 16.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -72.4 57.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.21 50.42 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 73' ' ' GLY . 88.5 p -39.28 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.0 -56.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.16 -32.2 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.94 162.21 15.25 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 85' ' ' LEU . 19.2 m -107.7 147.7 30.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.2 mt -117.65 133.04 56.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD22 HD21 ' A' ' 85' ' ' LEU . 29.5 tp -117.96 109.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 60.39 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 4.7 t -144.85 61.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -179.34 142.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.755 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.45 123.75 28.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 HD22 ' A' ' 80' ' ' LEU . 92.6 mt -61.47 -176.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.88 144.24 31.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.5 Cg_endo -74.96 -37.54 2.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -90.99 34.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 67.7 m -158.13 146.95 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.6 p -123.26 122.62 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.89 148.98 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -89.68 114.24 25.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.41 147.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -120.93 -167.57 13.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.43 121.93 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.04 30.56 46.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.37 120.26 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.8 120.94 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.94 109.59 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -98.65 104.87 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -126.02 161.82 26.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.62 -140.74 32.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.597 1.186 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -92.88 -69.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLY . 96.6 m-85 -124.85 46.83 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -115.52 123.11 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.722 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -127.59 134.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 15' ' ' LEU . 29.6 mt -118.38 140.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 109' ' ' VAL . 2.0 tp -108.73 131.19 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 108' ' ' LEU . 58.6 t -97.64 116.96 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.02 121.54 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.479 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 11.4 m-85 -83.4 108.21 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 24.7 m -88.63 141.75 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 110.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 161.99 29.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.73 26.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -45.85 -59.6 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m 53.0 85.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 164.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -154.63 153.99 32.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.39 124.03 7.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -104.45 136.03 44.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -96.05 116.95 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.68 121.78 7.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.28 149.76 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.25 -5.16 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 13.6 m -136.71 115.28 10.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.16 26.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.637 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.71 154.14 15.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD23 HD13 ' A' ' 35' ' ' ILE . 17.7 tp -91.11 110.58 21.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.068 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -105.42 98.84 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 107' ' ' ILE . 78.9 mt -86.8 109.91 19.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 57.9 t -99.67 125.99 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 5.7 m-85 -85.02 88.03 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' HB2' ' A' ' 106' ' ' SER . 11.0 m -75.07 -27.49 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -141.93 173.75 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.61 -171.51 23.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.98 -16.6 20.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.13 6.84 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.22 117.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.224 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 5.79 33.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.41 161.22 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.06 126.59 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -113.23 170.52 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -148.73 134.62 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -135.23 148.79 49.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -70.71 164.52 54.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 137.23 21.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 15.78 63.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.14 104.32 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 35.1 m -61.25 122.96 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.715 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -107.24 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 104.97 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 46' ' ' ILE . 42.1 t -92.49 118.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.05 -153.12 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.436 1.085 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -109.62 -36.14 6.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.553 HG12 HG22 ' A' ' 55' ' ' THR . 4.6 pt -96.52 135.03 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.69 -38.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -49.78 119.76 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 50.36 67.33 1.92 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 33.6 m-20 -173.32 129.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.1 mm-40 -66.14 -33.41 75.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 HG22 ' A' ' 37' ' ' VAL . 68.3 mt -137.89 139.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.42 120.3 19.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.868 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.0 mt -110.53 132.6 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 71.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.613 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.2 t70 -120.92 -1.69 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.0 -58.11 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.06 -24.93 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.868 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -94.46 141.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.32 159.35 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 40' ' ' ILE . 81.5 p -39.21 -60.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -107.68 68.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.493 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.2 t-160 -70.65 -66.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -152.96 170.86 19.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -134.98 143.13 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 13' ' ' LEU . 17.5 mt -109.16 139.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.42 160.72 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -116.97 141.18 48.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -110.3 -153.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.5 m -44.36 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 37.59 48.74 1.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -156.28 165.14 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.1 m95 -114.15 145.24 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.74 152.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 2.7 tt -124.47 147.03 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.27 127.11 18.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.5 t70 -85.88 110.45 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -76.77 54.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.48 68.11 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.493 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 28.9 p -80.99 50.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' SER . 0.2 OUTLIER 34.89 52.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -179.76 -61.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.14 161.95 14.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.441 ' OG1' HD23 ' A' ' 58' ' ' LEU . 16.6 m -111.66 141.24 45.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.3 mt -107.7 140.47 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' SER . 16.6 tp -127.24 107.64 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.9 m-80 66.25 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.7 m -163.37 56.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -170.14 136.58 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.628 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.93 118.73 21.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 78' ' ' THR . 39.8 mt -65.52 169.17 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.51 145.46 36.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.4 Cg_endo -74.94 -28.76 9.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.78 7.06 47.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.2 m -136.01 135.91 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.23 127.35 55.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.13 151.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 112.48 21.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 109' ' ' VAL . 34.4 mt -50.17 164.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.82 154.56 25.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.93 114.17 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.94 16.02 24.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 80' ' ' LEU . 4.4 m-20 -87.91 125.12 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.58 123.92 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.11 106.53 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -97.02 104.97 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -126.06 161.57 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.86 -131.5 15.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -101.69 -64.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -131.34 49.02 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 HD13 ' A' ' 48' ' ' ILE . 7.2 m -116.96 118.61 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.744 ' HB2' HG23 ' A' ' 18' ' ' VAL . 46.9 m -121.4 133.75 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 15' ' ' LEU . 15.7 mt -120.75 127.1 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -96.15 136.99 35.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -101.01 121.2 51.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.07 122.83 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.44 111.42 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.637 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 20.0 m -92.31 128.69 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 97.37 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 55.27 -163.44 4.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.07 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.8 m -157.12 121.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 m -80.76 113.01 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -107.91 154.17 21.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 61.85 160.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.27 -107.32 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.61 150.99 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.29 -55.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.93 -156.48 9.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -166.2 170.97 12.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.25 -51.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 31' ' ' PRO . 19.8 m -126.32 114.89 23.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.58 42.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -74.43 147.05 42.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.67 110.62 21.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -112.37 108.92 18.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 46' ' ' ILE . 62.6 mt -89.81 115.43 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.63 124.82 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 56.3 m-85 -86.61 90.31 8.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.0 m -77.86 -30.16 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 1.9 mmtt -132.97 -169.54 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 79.42 -169.48 53.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -25.14 12.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 8.3 mtp180 -87.07 0.32 55.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 28.9 tt0 -39.61 114.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.44 -3.62 29.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -102.24 156.3 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.51 150.92 28.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 46' ' ' ILE . 6.9 mt -138.41 168.74 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -148.26 143.09 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -141.43 162.76 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.49 166.17 36.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.97 130.6 13.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.97 19.01 32.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -117.56 111.83 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -67.47 132.42 47.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.9 mt -116.97 94.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -75.66 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 90.9 t -93.81 120.02 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.42 -150.48 5.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -104.8 -22.12 13.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 20.0 pt -106.89 154.81 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.741 HG13 ' HB3' ' A' ' 47' ' ' ALA . 2.9 m -92.73 -34.13 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.73 -88.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -86.63 69.63 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 43' ' ' GLY . 5.6 m-80 177.95 142.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.657 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.9 tp10 -70.16 -34.05 72.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.518 ' CD1' HD12 ' A' ' 15' ' ' LEU . 57.4 mt -139.53 144.45 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.741 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -133.45 149.18 51.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.856 ' HB ' HD13 ' A' ' 53' ' ' ILE . 3.4 mt -134.97 119.83 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.93 69.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 61.2 t0 -114.98 -9.43 12.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 81.89 -57.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.48 -21.87 3.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.856 HD13 ' HB ' ' A' ' 48' ' ' ILE . 9.5 mt -91.99 143.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.23 168.9 8.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.2 p -49.96 -52.19 35.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -115.57 62.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.0 t60 -60.79 -65.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -149.37 172.74 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -133.5 131.68 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.7 mt -104.97 132.02 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 168.41 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.525 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 6.1 t -128.2 135.35 49.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.83 162.43 38.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.89 52.87 7.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.18 41.81 8.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -153.51 169.51 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 82.1 m95 -111.81 141.49 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.41 158.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -123.8 146.13 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -141.96 124.31 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.3 t0 -83.57 105.58 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -69.67 60.63 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.17 46.1 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.1 p -49.33 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -78.73 -65.62 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.74 174.89 14.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.42 ' OG1' HD23 ' A' ' 58' ' ' LEU . 38.5 m -116.73 144.6 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 84' ' ' ALA . 31.1 mt -121.71 130.89 53.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 99' ' ' ILE . 8.8 tp -123.25 104.51 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . 57.8 m-80 51.26 80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ASN . 1.6 m 37.51 48.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.68 132.09 11.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.59 126.14 34.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -75.27 -175.33 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 150.32 53.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.84 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -92.89 31.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.8 m -152.41 147.5 26.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.5 p -128.33 120.31 26.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.01 159.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -97.08 117.26 30.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.765 HD22 HG21 ' A' ' 109' ' ' VAL . 46.6 mt -54.34 168.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.12 152.93 24.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.3 t70 -68.37 114.03 6.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 0.803 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.555 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 106.05 13.0 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.643 ' HB3' HD11 ' A' ' 80' ' ' LEU . 15.5 m-20 -88.16 124.33 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.68 114.49 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 80' ' ' LEU . 28.4 mt -95.47 110.0 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.38 105.02 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -125.96 163.73 22.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.35 -140.17 33.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -81.9 -70.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.2 53.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.454 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -110.83 120.53 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.635 ' HB2' HG23 ' A' ' 18' ' ' VAL . 13.1 m -117.32 131.22 56.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 101' ' ' LEU . 26.8 mt -120.22 128.58 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.555 HD21 ' HA2' ' A' ' 96' ' ' GLY . 1.7 tt -96.14 132.93 41.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.765 HG21 HD22 ' A' ' 93' ' ' LEU . 44.1 t -95.32 115.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.494 ' OD1' HD22 ' A' ' 108' ' ' LEU . 1.6 m120 -122.71 134.02 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -96.54 111.89 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.9 t -97.39 110.42 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 t -98.72 77.08 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 86.44 -161.48 33.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -178.82 4.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 m -95.64 98.25 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -84.86 131.33 34.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -107.55 149.94 27.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -176.89 123.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -87.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.97 168.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.69 140.92 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.26 167.63 46.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 mmt -111.58 118.05 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.01 -33.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 3.5 m -72.28 113.29 19.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.19 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -63.04 144.94 56.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -91.76 110.58 21.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.2 116.17 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 107' ' ' ILE . 81.5 mt -99.04 109.56 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -100.95 126.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 18.8 m-85 -85.04 88.02 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.4 m -74.99 -31.52 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 23.0 mttt -134.31 -173.79 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.62 -170.99 41.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.2 Cg_endo -75.03 -21.67 15.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.01 4.87 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -41.26 114.63 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.95 0.51 24.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.58 160.89 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.49 137.42 14.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.54 167.91 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -148.91 147.44 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.9 175.03 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.15 164.4 18.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 126.14 9.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.5 9.48 43.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.15 119.11 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -73.76 129.61 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HD13 HD12 ' A' ' 13' ' ' LEU . 2.7 mp -113.51 95.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 5.1 mtm180 -78.76 109.1 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 t -95.76 118.85 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.37 -154.99 6.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -102.98 -32.19 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' ND2' ' A' ' 44' ' ' ASN . 31.1 pt -102.7 143.56 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 41' ' ' VAL . 3.9 m -71.04 -35.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -70.72 113.22 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.95 -56.39 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 40' ' ' ILE . 2.8 m-80 -90.62 144.33 25.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -61.85 -64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.3 mt -99.61 139.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.22 135.72 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.883 ' HB ' HD13 ' A' ' 53' ' ' ILE . 9.1 mt -125.2 116.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.8 71.81 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.596 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 t0 -120.59 -2.24 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 77.83 -55.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.3 -23.97 1.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.883 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -96.8 139.91 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.55 161.32 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -42.17 -54.27 3.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 70.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.4 t-160 -72.55 -64.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -155.8 172.71 17.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' HG2' HD11 ' A' ' 72' ' ' LEU . 14.9 ptt180 -137.07 143.15 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.408 HG12 HD12 ' A' ' 69' ' ' ILE . 58.6 mt -104.38 134.4 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -141.41 167.32 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.405 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -123.83 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -109.72 -153.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.76 93.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 39.41 47.34 2.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -155.99 164.88 37.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.545 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 91.5 m95 -114.5 145.25 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.44 155.69 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 1.7 tt -124.65 143.03 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 72' ' ' LEU . 6.0 tt0 -142.02 119.78 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -77.15 110.17 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -69.24 64.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 36.72 45.22 1.01 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.3 t -63.89 175.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.018 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 51.56 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.39 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 78' ' ' THR . . . 104.57 -4.0 43.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' GLY . 58.2 m 57.93 153.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.733 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 84' ' ' ALA . 53.5 mt -127.05 141.86 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 97' ' ' ASP . 37.8 tp -126.77 103.41 7.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.4 m-80 66.37 -69.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -160.84 53.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -165.19 138.69 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.716 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.39 122.22 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 77' ' ' GLY . 76.8 mt -63.94 161.07 16.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.57 158.54 64.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 -63.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.06 -26.71 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.3 m -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.7 p -126.8 145.05 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.57 148.42 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -89.78 123.0 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 109' ' ' VAL . 24.4 mt -56.18 174.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.64 154.75 25.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.69 116.18 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.05 12.84 38.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.675 ' HB3' HD11 ' A' ' 80' ' ' LEU . 12.1 m-20 -86.17 121.9 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -92.41 123.12 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.51 106.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -99.49 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.23 167.81 14.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.78 -119.21 8.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -113.71 -69.28 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.285 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.36 49.18 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 HG21 HD13 ' A' ' 48' ' ' ILE . 2.0 m -115.9 124.38 50.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -123.29 138.41 54.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.427 HG21 HD22 ' A' ' 15' ' ' LEU . 11.6 mt -125.04 128.3 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -95.87 131.57 42.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 93' ' ' LEU . 48.6 t -97.84 116.64 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.05 135.28 53.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -98.71 106.94 19.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.05 116.95 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.81 84.9 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.08 156.19 8.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.06 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -148.16 94.81 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.938 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.0 p -84.22 -12.04 55.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m 51.97 100.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.781 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -134.97 167.82 20.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.59 -100.62 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.03 150.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.64 143.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.0 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mtm -178.14 107.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 0.726 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.8 m -121.78 84.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 31' ' ' PRO . 18.7 m 65.31 118.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.09 42.42 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -72.68 141.31 48.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.079 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -91.69 110.66 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 16' ' ' VAL . 29.9 ttp180 -111.5 117.0 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 107' ' ' ILE . 76.9 mt -96.9 108.38 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 14' ' ' ARG . 68.9 t -99.94 124.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 42.7 m-85 -83.66 89.58 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.35 -31.55 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -136.18 -172.65 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 85.69 -168.69 41.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.01 5.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 4.2 mtp85 -83.71 -0.08 49.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 29.4 tt0 -39.23 117.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.01 -5.31 30.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.37 159.09 15.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.0 149.86 27.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG12 ' A' ' 46' ' ' ILE . 4.2 mt -135.38 171.29 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 6.9 t70 -147.05 150.01 34.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 28' ' ' ASP . 38.5 m-85 -147.64 154.43 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 162.98 69.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.0 128.61 11.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.67 16.54 28.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.25 120.26 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -76.06 122.01 23.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.8 mp -104.48 105.42 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -86.01 104.06 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 53.4 t -91.88 123.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.31 7.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -97.2 -26.24 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.855 HD11 HG23 ' A' ' 55' ' ' THR . 40.7 pt -106.44 166.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -101.44 -26.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' VAL . 2.8 mpt_? -35.75 -90.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -96.59 62.14 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' THR . 79.8 m-20 -166.37 140.56 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -68.74 -44.88 72.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 27' ' ' LEU . 23.1 mt -125.34 140.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -128.6 128.61 44.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.516 HG21 HG21 ' A' ' 105' ' ' THR . 3.9 mt -115.14 127.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.56 69.85 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 29.0 t0 -112.76 -6.78 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.77 -57.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.36 -21.9 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 63.1 mt -89.98 142.45 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.65 157.72 17.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.855 HG23 HD11 ' A' ' 40' ' ' ILE . 1.2 m -42.01 -50.94 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 66.66 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 4.5 t-80 -68.64 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.643 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -154.69 172.14 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -131.48 146.13 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ILE . 73.7 mt -113.15 135.03 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.02 168.56 20.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.503 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -128.75 142.22 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -152.25 155.08 37.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.21 58.67 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.24 39.81 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -150.32 167.47 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 83.3 m95 -112.03 146.46 37.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.005 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.9 157.18 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 tt -128.1 144.87 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -142.32 125.39 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -83.34 109.39 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.55 59.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.5 48.54 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' GLY . 2.9 p -39.52 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.59 -57.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 77' ' ' GLY . 8.8 p30 -83.36 -39.88 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 118.29 161.08 11.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.8 m -105.93 147.56 28.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.6 mt -118.87 139.97 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.8 tp -125.29 104.41 8.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 75.9 m-20 65.13 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -159.4 60.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -175.12 135.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.679 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.15 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 80' ' ' LEU . 39.2 mt -65.77 170.55 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.34 148.63 61.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.57 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' HG1' ' A' ' 89' ' ' THR . 43.3 mt-10 -90.6 31.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.451 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 81.2 m -153.59 143.34 21.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.4 p -118.69 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.84 149.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.11 135.9 33.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 109' ' ' VAL . 45.5 mt -77.3 171.18 15.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.2 155.6 26.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t70 -69.23 112.67 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.8 13.44 21.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -88.96 124.3 34.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.97 126.73 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.01 106.35 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -96.04 105.33 17.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 164.17 21.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.98 -142.59 38.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -140.97 50.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 48' ' ' ILE . 3.4 m -110.38 116.73 31.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -115.86 134.35 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 15' ' ' LEU . 43.0 mt -120.84 135.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 8.8 tp -102.73 138.66 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 53.1 t -102.72 115.99 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -123.48 140.55 52.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 15.3 m-85 -103.8 107.55 18.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.58 108.8 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -101.34 88.59 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.42 171.9 39.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.14 33.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.85 119.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.958 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 t -91.96 84.22 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -169.36 147.88 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 m -83.25 166.48 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.6 -145.82 19.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -69.72 168.32 15.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.013 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.38 154.72 48.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.0 -173.45 47.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.27 95.61 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -91.45 -171.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 56.2 m -51.0 125.5 23.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.3 42.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -71.83 144.82 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -93.18 111.47 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -113.48 115.76 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 107' ' ' ILE . 79.1 mt -97.17 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -101.41 125.55 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 29.0 m-85 -83.28 89.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG11 HD12 ' A' ' 108' ' ' LEU . 15.6 m -74.17 -31.17 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -134.68 -170.87 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 -172.77 47.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.15 18.11 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 3.87 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -40.4 115.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.99 -2.05 24.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.03 156.2 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.1 138.86 17.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.9 170.44 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -149.12 147.35 28.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -145.26 171.56 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.57 165.19 18.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.01 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.81 13.14 44.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -111.71 109.24 19.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.5 m -66.55 123.11 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.7 mp -108.26 94.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -78.4 107.16 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.3 t -91.84 118.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.26 -146.82 5.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.2 ttt180 -116.58 -10.26 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 55' ' ' THR . 8.9 pt -129.59 122.81 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.852 HG13 ' HB3' ' A' ' 47' ' ' ALA . 4.4 m -56.45 -28.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -32.99 -89.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -99.4 59.09 0.82 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 77.6 m-20 -164.74 136.04 4.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.693 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -61.48 -35.27 77.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -139.43 134.71 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.852 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -125.2 137.41 54.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.688 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.3 mt -122.84 131.36 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.34 68.32 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.619 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 7.1 t0 -115.82 -9.04 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.3 -55.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.45 -24.18 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -93.72 140.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 157.49 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 HG12 ' A' ' 40' ' ' ILE . 18.3 p -37.94 -53.06 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -116.13 69.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.2 t60 -69.53 -64.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.76 172.33 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.0 ptt180 -133.84 145.59 49.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.83 134.17 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -142.67 166.86 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.1 t -128.78 139.41 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -144.28 156.05 44.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.53 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.4 OUTLIER 40.9 62.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 39.82 40.38 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 64' ' ' SER . 44.6 m-80 -146.66 165.69 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 88.3 m95 -113.59 143.36 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.27 153.84 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.9 145.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.34 123.34 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLY . 19.6 t0 -82.77 107.07 15.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.6 61.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 37.84 42.91 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.618 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.2 p -48.97 162.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.13 66.86 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 164.56 -49.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.19 145.68 10.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 85' ' ' LEU . 25.4 m -98.41 147.74 24.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 84' ' ' ALA . 45.2 mt -120.68 141.85 50.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 tp -127.16 103.54 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 56.4 m-80 66.91 -68.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' LEU . 5.0 m -163.06 57.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -172.01 133.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.704 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.13 121.53 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' CG2' ' A' ' 78' ' ' THR . 36.2 mt -65.93 165.65 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.56 152.68 62.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -40.39 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.3 12.54 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -139.38 141.79 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.8 125.99 38.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.62 160.46 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.82 122.21 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 109' ' ' VAL . 62.1 mt -58.38 167.35 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 97' ' ' ASP . . . -155.22 153.41 24.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -66.15 106.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.34 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 6.3 m-20 -93.07 125.23 37.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.85 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mt -103.83 107.86 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -98.42 105.91 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -124.94 162.19 24.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.68 -126.03 10.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.88 -68.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -130.45 50.65 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.3 m -115.46 120.46 39.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -120.04 135.74 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.472 HG21 HD22 ' A' ' 15' ' ' LEU . 32.3 mt -122.42 130.5 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -97.05 137.91 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 93' ' ' LEU . 54.7 t -102.89 116.77 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.53 135.32 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.3 m-85 -98.75 106.72 19.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -88.53 106.65 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 -54.73 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.84 -170.49 42.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.1 42.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.5 t -105.25 124.4 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -144.86 99.5 3.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.6 147.91 43.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.98 137.89 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -167.28 35.81 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.34 140.3 33.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.57 149.46 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.32 140.08 2.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.69 127.81 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -99.38 -7.31 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 7.4 m -90.23 119.22 69.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 146.42 32.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -66.39 150.91 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 35' ' ' ILE . 22.4 tp -91.67 112.54 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -111.62 102.86 11.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.88 112.22 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 39.0 t -105.68 125.08 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 50.8 m-85 -85.22 91.63 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 106' ' ' SER . 12.2 m -76.0 -28.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -134.18 -175.01 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.26 -176.49 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.05 20.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.775 ' NH2' HG23 ' A' ' 46' ' ' ILE . 6.4 mtm180 -100.03 3.76 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 1.6 tm-20 -39.6 121.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.44 3.85 35.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.72 154.2 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.26 145.4 25.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 46' ' ' ILE . 1.1 mt -130.64 174.04 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -148.57 142.22 25.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CG ' HG12 ' A' ' 35' ' ' ILE . 94.3 m-85 -146.17 152.01 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.68 164.35 60.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -75.02 129.03 11.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.58 15.94 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.33 113.65 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -67.62 122.78 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.736 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -108.34 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -75.94 118.47 18.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 98.9 t -107.06 117.83 53.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.18 -154.44 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -104.91 -28.99 10.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 55' ' ' THR . 5.9 pt -106.54 136.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 47' ' ' ALA . 4.4 m -65.21 -36.16 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 40' ' ' ILE . 14.9 mtt-85 -71.13 109.95 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.81 -52.03 0.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -103.23 152.17 21.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.59 -62.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' NH2' ' A' ' 22' ' ' ARG . 39.1 mt -93.94 137.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -135.87 140.16 43.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.8 mp -127.98 124.43 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 mmpp? -75.19 66.34 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.72 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -132.01 109.88 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.41 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -56.44 -46.1 88.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.746 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -80.67 167.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.538 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.81 172.3 13.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 40' ' ' ILE . 44.2 p -73.36 109.04 6.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.0 mttt 79.77 28.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.6 t60 -39.05 -57.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.664 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -151.32 171.89 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.4 ptt180 -134.2 133.28 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 HD21 ' A' ' 13' ' ' LEU . 70.7 mt -101.54 136.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 173.46 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -122.27 136.45 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 65' ' ' GLY . 9.0 t0 -102.16 -151.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.32 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 41.33 47.38 4.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.574 1.171 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -156.91 165.53 35.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.7 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.0 m95 -108.53 143.11 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.88 155.08 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.424 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -123.38 147.71 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -141.19 126.29 18.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.28 111.37 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.34 57.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.35 45.21 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.607 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 t -57.98 149.72 22.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -68.84 74.67 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' SER . 2.1 m-20 160.5 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.36 156.83 9.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.603 HG21 ' CD2' ' A' ' 58' ' ' LEU . 7.4 m -110.84 144.08 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 84' ' ' ALA . 29.8 mt -115.92 145.61 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 85' ' ' LEU . 14.4 tp -127.18 104.11 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 41.0 m-80 68.14 -67.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 11.5 p -165.11 43.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.19 134.25 11.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.79 122.8 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 80' ' ' LEU . 46.8 mt -68.73 176.76 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.6 147.33 63.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -35.14 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' HG1' ' A' ' 89' ' ' THR . 48.3 mt-10 -91.51 23.56 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 28.0 m -153.15 140.1 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.12 125.35 47.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.15 148.56 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 15.2 p-10 -84.26 113.71 21.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -49.75 164.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.2 161.06 27.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.25 100.17 3.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 112.16 19.88 6.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.34 123.62 33.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.19 123.74 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.81 104.1 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -94.89 105.47 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.3 164.15 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -132.04 24.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt-10 -95.03 -69.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -131.78 50.54 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 53' ' ' ILE . 5.3 m -114.33 116.43 28.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.2 m -117.55 132.15 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 101' ' ' LEU . 12.3 mt -119.1 124.25 72.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.576 HD21 ' HA2' ' A' ' 96' ' ' GLY . 2.3 tt -92.32 136.27 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 93' ' ' LEU . 59.4 t -101.51 121.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -128.37 127.8 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -89.41 108.89 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 50.0 t -88.13 110.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.38 38.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.54 162.6 34.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.35 4.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.2 p -80.9 114.55 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.92 145.97 47.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 110.967 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -148.84 162.37 39.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.73 151.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.62 -141.18 15.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 61.65 112.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.04 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.26 126.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.77 -120.4 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -157.17 147.86 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m -98.69 155.65 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 2.8 m 61.96 116.93 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.33 35.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.728 ' HB2' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -67.08 152.63 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 35' ' ' ILE . 24.6 tp -91.47 110.03 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.598 ' NH2' HG12 ' A' ' 112' ' ' VAL . 6.4 ttp180 -104.32 101.75 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 107' ' ' ILE . 72.2 mt -88.72 108.84 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -100.43 125.26 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 48' ' ' ILE . 9.1 m-85 -82.64 90.34 6.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.7 m -76.98 -29.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -136.26 -177.32 4.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.91 -173.24 39.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -75.02 -14.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.65 7.44 42.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -44.13 114.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.24 4.33 25.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.16 165.95 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.08 142.13 15.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.82 172.95 10.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -148.56 140.18 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' OH ' HD11 ' A' ' 46' ' ' ILE . 73.7 m-85 -143.32 145.54 32.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.31 164.58 58.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.15 13.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.27 14.23 42.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -112.29 105.59 13.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.043 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -62.26 122.5 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -105.07 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -85.34 107.8 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG23 HD12 ' A' ' 60' ' ' ILE . 24.0 t -98.89 124.96 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.49 -153.79 6.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -103.0 -38.99 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 55' ' ' THR . 13.6 pt -100.74 137.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 47' ' ' ALA . 3.8 m -65.67 -35.47 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -42.03 106.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.86 62.73 5.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -167.53 132.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.52 -40.12 96.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' OH ' ' A' ' 29' ' ' TYR . 45.4 mt -135.99 134.92 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -137.93 113.92 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 mt -101.92 104.39 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 61.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.3 t0 -90.05 -77.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 162.4 -59.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.49 -15.9 19.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.02 158.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.26 169.55 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HG12 ' A' ' 40' ' ' ILE . 21.7 p -46.61 -62.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.9 t-160 -65.41 -66.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -148.49 172.49 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -134.5 132.93 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD12 ' A' ' 69' ' ' ILE . 8.4 mt -106.49 133.21 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -115.66 162.2 17.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.2 t0 -121.43 94.53 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -141.76 34.39 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 62' ' ' SER . 15.6 m120 -142.71 164.42 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.42 136.26 49.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -137.47 149.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.543 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -119.48 147.58 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -139.3 128.99 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 8.0 t0 -86.56 104.91 16.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -72.07 58.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.82 46.19 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.1 p -52.08 160.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.91 62.8 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.64 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.06 153.39 15.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.612 HG21 HD23 ' A' ' 58' ' ' LEU . 11.2 m -106.68 147.96 28.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 84' ' ' ALA . 20.9 mt -120.61 137.25 54.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' CD2' HD21 ' A' ' 85' ' ' LEU . 12.4 tp -121.5 110.6 16.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 60.07 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -144.95 60.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -177.61 143.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.786 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.71 122.68 29.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 80' ' ' LEU . 87.5 mt -64.35 166.75 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.72 147.3 45.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -75.04 -36.03 2.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.57 15.0 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -140.83 138.03 33.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.87 126.16 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.76 164.71 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 8.6 p30 -94.94 112.73 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.641 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -47.12 156.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.96 158.7 24.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 113.55 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.27 17.77 19.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' HD11 ' A' ' 80' ' ' LEU . 6.3 m-20 -88.67 121.12 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.2 t -92.51 122.82 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mt -103.55 102.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 104.63 16.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 105' ' ' THR . 1.0 OUTLIER -126.6 161.17 28.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.53 -139.86 28.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -91.42 -64.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -131.94 41.41 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 2.7 m -108.1 123.57 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.727 ' HB2' HG23 ' A' ' 18' ' ' VAL . 31.3 m -128.24 136.72 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 15' ' ' LEU . 41.4 mt -122.84 135.68 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.5 tp -101.79 140.89 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.641 HG21 HD22 ' A' ' 93' ' ' LEU . 75.4 t -106.29 111.77 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -121.19 125.03 46.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -84.4 110.21 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 12' ' ' SER . 31.0 m -94.25 118.52 40.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -54.96 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.69 -172.02 21.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.0 p -139.08 148.24 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 t -136.78 101.42 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -62.64 116.41 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -61.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.65 138.56 10.28 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -145.38 119.34 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 53.64 94.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -160.26 11.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 151.42 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.55 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 2.6 m -101.61 112.82 65.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.72 32.85 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -64.48 146.3 54.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -92.06 110.94 22.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.9 ttt180 -109.99 113.52 26.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 46' ' ' ILE . 78.3 mt -93.88 109.54 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 76.1 t -98.45 129.9 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 10.3 m-85 -88.57 83.79 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.9 m -70.77 -32.18 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -135.72 -178.32 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.57 -171.67 27.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.4 14.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -100.18 11.14 40.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 51.0 tt0 -43.4 114.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 1.89 19.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.49 163.15 12.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.68 141.06 16.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.81 170.9 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 1.1 p30 -148.78 148.85 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 45' ' ' GLU . 65.6 m-85 -146.61 179.34 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 165.39 14.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.96 130.91 13.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 12.65 55.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -107.51 115.97 31.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -72.1 125.05 26.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.8 mp -109.26 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.15 104.09 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 25.9 t -93.96 123.2 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.06 -155.29 6.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -102.15 -36.55 8.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.743 HG12 HG22 ' A' ' 55' ' ' THR . 29.3 pt -99.94 144.81 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 41' ' ' VAL . 3.7 m -70.25 -35.48 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 40' ' ' ILE . 10.7 mtt180 -46.88 121.22 3.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.47 65.2 2.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -167.27 139.0 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.58 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -73.43 -34.64 65.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.514 ' CD1' HD12 ' A' ' 15' ' ' LEU . 86.7 mt -141.15 139.81 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.34 143.17 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 53' ' ' ILE . 13.3 mt -132.19 132.28 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -99.9 65.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.9 t70 -108.37 -9.86 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.6 -54.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.25 -30.28 5.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -86.05 168.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.554 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.3 -178.91 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.743 HG22 HG12 ' A' ' 40' ' ' ILE . 41.9 p -77.56 113.94 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 70.81 29.49 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.3 t60 -39.23 -50.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.62 167.33 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 72' ' ' LEU . 10.8 ptt180 -130.62 142.2 50.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.419 HG12 HD12 ' A' ' 69' ' ' ILE . 83.9 mt -107.72 131.62 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 167.4 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.3 t -127.64 138.53 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' ASN . 7.3 t70 -145.39 161.19 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.02 54.32 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.35 37.91 8.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.5 m-80 -144.77 168.98 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 85.7 m95 -113.28 139.78 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.87 158.67 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -125.46 147.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.7 127.43 19.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.088 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -84.25 109.68 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -69.98 59.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.96 51.19 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 18.1 p -50.24 -96.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.46 -61.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -74.18 -44.63 52.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.33 158.44 15.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HD12 ' A' ' 85' ' ' LEU . 24.1 m -103.65 146.27 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 84' ' ' ALA . 40.9 mt -116.02 143.34 45.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 97' ' ' ASP . 14.0 tp -127.26 103.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 67.93 -67.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 36.6 t -164.36 46.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -157.47 135.69 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.83 123.6 28.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 78' ' ' THR . 34.5 mt -69.07 173.51 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.15 152.12 77.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.23 2.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.9 20.89 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.2 m -144.34 145.28 31.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -126.44 126.94 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.79 149.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -90.89 116.46 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 109' ' ' VAL . 55.2 mt -50.4 178.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.5 149.77 16.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.1 t70 -63.85 108.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.589 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 109.28 12.06 20.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 80' ' ' LEU . 9.6 m-20 -87.48 121.39 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.82 124.36 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 80' ' ' LEU . 28.8 mt -104.69 106.24 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.34 105.72 17.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.46 170.56 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.63 -124.88 22.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -109.03 -57.99 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -136.89 40.89 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -106.91 120.01 40.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.797 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.8 m -120.79 133.73 55.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.61 127.6 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD21 ' HA2' ' A' ' 96' ' ' GLY . 1.6 tt -96.42 137.58 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.916 HG21 HD22 ' A' ' 93' ' ' LEU . 54.1 t -98.57 116.07 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' OD1' HD22 ' A' ' 108' ' ' LEU . 1.6 m120 -123.99 135.24 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.7 m-85 -98.27 113.33 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 t -97.95 113.07 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -79.66 97.89 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.44 -170.67 50.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.75 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.23 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -76.72 145.54 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -131.17 77.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.22 167.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.42 88.89 2.08 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -172.55 120.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.016 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.54 134.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 120.85 0.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.32 113.78 25.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 0.725 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 m -48.93 -31.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' PRO . 5.2 m -89.7 113.09 55.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.09 26.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -57.59 158.37 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.651 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -103.73 110.83 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -111.32 107.96 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 13' ' ' LEU . 68.9 mt -91.17 109.3 20.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.06 126.28 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 49.6 m-85 -84.28 88.04 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.7 m -71.83 -31.53 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 18.5 mttt -136.84 -170.93 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 88.59 -173.0 41.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.5 Cg_endo -74.97 -16.48 20.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -106.36 18.86 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 35.7 tt0 -53.22 117.07 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.52 -2.48 24.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.58 157.73 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.33 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 46' ' ' ILE . 1.6 mt -130.57 174.23 10.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -149.03 146.4 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' A' ' 46' ' ' ILE . 77.7 m-85 -143.93 175.21 10.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -93.84 163.35 24.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.04 127.07 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.79 38.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -111.79 108.06 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 0.784 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.4 m -61.55 128.48 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.651 HD13 HD12 ' A' ' 13' ' ' LEU . 3.3 mt -113.96 94.73 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -77.93 108.73 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.487 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 79.3 t -96.53 120.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.35 -148.15 5.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt-85 -106.72 -25.89 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 23.3 pt -114.68 133.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.98 HG13 ' HB3' ' A' ' 47' ' ' ALA . 3.3 m -73.73 -26.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -29.93 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -97.83 59.4 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 80.1 m-20 -166.1 144.52 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -45.69 84.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' A' ' 29' ' ' TYR . 40.8 mt -131.25 143.13 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.98 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -137.61 156.15 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.9 mt -132.68 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 72.13 9.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.849 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -145.84 118.97 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.8 -29.44 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' ' OD2' ' A' ' 50' ' ' ASP . . . -61.26 -23.11 61.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 50' ' ' ASP . 7.6 mt -106.37 139.25 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.5 172.15 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -53.01 -48.37 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.21 58.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -56.54 -67.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.3 OUTLIER -147.5 173.1 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' A' ' 70' ' ' GLN . 15.3 ttt-85 -132.54 137.06 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.09 134.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -145.86 170.84 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.1 t -127.04 141.27 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -147.74 155.75 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.24 63.15 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.5 46.51 2.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -155.3 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 90.1 m95 -112.01 141.74 45.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.34 147.82 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -111.69 144.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.52 ' NE2' HD12 ' A' ' 72' ' ' LEU . 4.2 tt0 -135.47 120.29 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.25 107.2 18.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.69 58.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 33.66 44.37 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.6 p -45.98 171.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.0 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.63 -61.43 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.35 -174.25 32.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.516 HG21 ' CD2' ' A' ' 58' ' ' LEU . 86.1 m -125.62 122.43 36.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.435 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 84' ' ' ALA . 16.0 mt -95.78 146.28 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.3 tp -127.2 104.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.3 m-80 67.33 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 28.9 p -163.8 59.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.78 136.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.554 ' CA ' HD23 ' A' ' 79' ' ' LEU . . . -79.57 117.22 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 13.9 mt -57.95 179.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -131.59 140.87 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -26.82 10.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.2 32.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.5 m -157.8 152.28 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.0 p -122.17 125.6 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -103.67 159.0 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.58 109.78 21.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 109' ' ' VAL . 46.5 mt -48.37 165.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.97 23.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 3.2 t0 -64.44 116.01 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.05 20.03 22.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -90.58 125.17 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.11 119.49 46.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.68 112.29 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -97.76 105.09 17.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -126.23 152.26 46.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.95 -135.3 14.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -100.41 -64.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -130.26 50.17 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 48' ' ' ILE . 1.7 m -121.54 123.85 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.3 m -125.39 139.36 53.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.421 HG21 HD22 ' A' ' 15' ' ' LEU . 46.4 mt -122.29 139.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.3 tp -109.1 139.84 43.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 108' ' ' LEU . 67.0 t -104.54 123.57 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -129.42 129.33 44.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.1 m-85 -91.84 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 t -93.01 141.63 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.98 77.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.7 173.18 39.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.13 149.27 41.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.58 145.0 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m 63.39 137.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.004 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -100.82 149.14 24.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.047 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.19 121.1 0.7 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.62 113.58 9.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.979 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -70.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.58 -145.65 8.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -154.48 136.36 14.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.6 4.96 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -140.06 112.81 7.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.1 23.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.646 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -56.73 154.6 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 67' ' ' TRP . 16.2 tp -90.93 110.14 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -108.89 101.79 10.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 38.4 mt -90.26 120.45 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.98 124.86 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 42.2 m-85 -84.93 94.44 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -80.95 -24.84 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -134.78 -171.87 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 80.15 -173.47 54.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.95 -23.13 14.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -87.05 -2.93 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -36.13 116.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.12 -3.38 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.02 151.69 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -148.92 157.03 43.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -137.84 174.54 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -149.16 135.64 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.16 145.24 39.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -70.76 165.46 46.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 134.58 18.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.4 14.16 54.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.0 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' ILE . 87.0 m -68.25 130.02 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.654 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -115.32 100.59 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 100.96 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 8.8 t -90.46 123.96 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.19 -160.28 9.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -29.97 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.524 HG23 HG22 ' A' ' 55' ' ' THR . 2.7 pt -96.77 153.93 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.019 HG12 ' HB3' ' A' ' 47' ' ' ALA . 26.8 m -91.54 -38.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' VAL . 2.8 mtt180 -37.17 99.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' ASN . . . 82.86 -59.68 4.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' GLY . 1.4 m120 -39.74 135.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.22 -57.03 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.697 HG12 HD13 ' A' ' 27' ' ' LEU . 23.9 mt -115.5 136.89 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.019 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -134.1 140.4 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.473 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.1 mt -129.75 113.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -75.67 70.6 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.8 t0 -109.01 -81.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 161.54 -57.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.52 -19.26 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB ' ' A' ' 48' ' ' ILE . 11.5 mt -92.89 142.68 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -113.59 156.99 22.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.524 HG22 HG23 ' A' ' 40' ' ' ILE . 75.2 p -37.4 -57.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 69.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.641 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 2.9 t-160 -69.25 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.73 169.88 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 12.3 ptt180 -130.21 151.16 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.495 HG21 ' CD2' ' A' ' 13' ' ' LEU . 46.0 mt -118.71 141.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.19 161.72 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 1.2 t -123.35 144.15 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.05 144.91 27.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.95 52.3 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.07 44.38 25.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 m-20 -149.41 165.47 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.5 m95 -112.05 139.62 47.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.29 151.24 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 tt -121.59 146.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -141.03 124.0 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.4 t70 -84.68 106.76 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -71.79 59.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.78 54.43 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.641 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 95.6 p -69.61 -175.04 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -78.88 137.15 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 72.91 -59.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.14 165.89 11.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.4 m -102.56 145.39 29.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 84' ' ' ALA . 39.2 mt -116.3 142.02 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 82' ' ' SER . 15.0 tp -127.18 105.19 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 69.5 m-80 64.72 -72.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -158.52 64.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.68 136.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.82 120.66 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.14 177.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.82 75.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.98 -36.69 2.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 31.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -152.65 143.46 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.5 p -127.84 129.49 47.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 t -111.0 163.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -97.47 113.82 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.605 HD22 HG21 ' A' ' 109' ' ' VAL . 51.5 mt -47.63 152.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 152.87 23.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t0 -68.14 120.95 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 94.61 17.91 37.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.54 119.12 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.9 t -88.04 125.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.92 100.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.37 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.2 pt? -126.01 160.34 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 -134.84 18.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' A' ' 51' ' ' ALA . 29.9 mt-10 -95.92 -68.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.5 m-85 -129.19 45.33 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 1.7 m -112.64 125.8 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.578 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.7 m -128.25 139.11 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.943 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.563 ' CD1' HD21 ' A' ' 101' ' ' LEU . 11.6 mt -125.37 127.25 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.576 HD21 ' HA2' ' A' ' 96' ' ' GLY . 2.0 tt -95.88 133.51 39.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 71.5 t -97.57 116.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.485 ' OD1' HD22 ' A' ' 108' ' ' LEU . 1.5 m120 -123.99 125.33 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 10.2 m-85 -85.8 113.92 22.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.646 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 17.3 m -92.24 124.68 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.6 -66.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.34 170.35 18.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 153.29 41.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 117.39 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.0 m -146.52 138.04 24.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.12 136.52 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.0 155.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.8 157.23 53.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 p -103.45 98.33 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -44.2 124.55 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.04 -133.29 1.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 ttp -142.44 133.78 26.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.67 173.41 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 31' ' ' PRO . 52.5 m -39.24 118.63 1.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.58 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.641 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.6 151.51 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -90.49 110.4 21.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -105.25 108.72 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 107' ' ' ILE . 73.7 mt -92.93 110.79 22.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -101.26 124.99 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 8.2 m-85 -85.26 88.17 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.723 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.8 m -75.47 -30.35 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -138.51 171.0 15.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.96 -169.06 19.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.83 14.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.34 4.85 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.66 115.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 7.06 32.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.74 164.23 11.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.48 132.54 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.78 170.78 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -148.69 144.85 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' OH ' ' CG1' ' A' ' 46' ' ' ILE . 74.6 m-85 -146.75 147.83 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -69.49 160.67 78.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.0 132.88 15.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.96 7.75 56.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -106.18 119.15 38.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.7 m -73.46 119.36 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.756 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.3 mt -104.66 94.84 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 105.12 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 58' ' ' LEU . 10.4 t -90.27 116.7 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.53 -157.58 7.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -103.62 -37.31 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 pt -94.77 141.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.53 -42.48 93.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -46.43 130.02 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 42.4 69.24 0.62 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 37.4 m-20 -172.46 131.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.756 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -69.47 -33.36 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' OH ' ' A' ' 29' ' ' TYR . 96.6 mt -141.4 138.97 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.04 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.901 ' HB ' HD13 ' A' ' 53' ' ' ILE . 11.4 mt -128.58 125.19 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -95.71 72.88 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.639 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -120.47 -0.53 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.22 -63.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.65 -27.32 0.31 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.901 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -89.35 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.57 173.44 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -49.17 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 62.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' HD2' ' HA ' ' A' ' 53' ' ' ILE . 6.1 t-80 -59.62 -66.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 ' OG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -150.86 172.2 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -135.04 140.66 45.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 46.3 mt -113.56 137.97 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -149.77 166.74 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.6 t -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -147.6 155.62 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.85 60.53 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 40.49 44.23 3.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -152.78 168.27 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 94.1 m95 -111.09 144.3 40.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.61 154.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HD21 ' A' ' 93' ' ' LEU . 2.7 tt -122.65 146.92 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -138.3 126.81 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 3.6 t70 -85.84 105.15 16.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -70.62 59.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 36.28 36.87 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.543 ' OG ' ' CG ' ' A' ' 57' ' ' HIS . 5.5 t -42.22 161.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -68.81 -59.4 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.27 173.91 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.573 ' OG1' HD23 ' A' ' 58' ' ' LEU . 12.0 m -115.36 149.2 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 84' ' ' ALA . 36.4 mt -123.23 141.85 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 8.8 tp -127.41 110.2 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER 66.83 -69.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -166.6 50.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -164.68 136.98 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.673 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -77.56 120.76 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 80' ' ' LEU . 58.8 mt -60.93 173.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.6 147.24 55.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.02 -37.9 1.81 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.451 1.764 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.29 23.56 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.5 m -144.79 149.38 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.7 p -125.76 124.18 40.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.6 t -106.6 147.52 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -88.7 114.87 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD21 ' HB ' ' A' ' 69' ' ' ILE . 76.3 mt -52.37 168.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.0 155.47 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.6 107.99 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.15 8.93 21.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.7 m-20 -81.73 120.87 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.27 112.51 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 80' ' ' LEU . 34.8 mt -93.01 105.94 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -97.34 104.76 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.21 168.68 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.21 -138.36 32.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -96.09 -56.25 2.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -137.83 38.79 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.3 m -103.63 123.2 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.723 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -126.4 130.23 50.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.476 HG21 HD22 ' A' ' 15' ' ' LEU . 25.0 mt -119.96 130.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -98.29 139.38 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.724 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.3 t -101.95 113.82 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -122.82 122.48 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -83.66 112.4 20.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.641 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 19.4 m -91.33 137.44 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.5 78.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.98 176.02 24.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.25 7.49 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.5 p -178.32 138.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.91 129.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.08 138.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -164.27 169.7 17.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.34 125.59 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -153.29 157.41 40.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -89.07 132.82 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.7 -127.69 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -82.45 143.69 30.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.35 -10.67 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 36.9 m -80.0 124.84 82.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.36 36.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -70.39 144.46 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -91.62 110.63 21.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -115.96 107.92 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 30.5 mt -89.45 122.21 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.21 125.07 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 57.9 m-85 -84.98 93.38 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 106' ' ' SER . 3.7 m -77.57 -29.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 10.9 mttt -134.86 -175.54 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 -169.42 40.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.97 -28.77 8.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.02 -0.67 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.93 114.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 -7.37 28.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.05 153.04 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -152.59 155.13 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -135.5 171.56 14.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -147.56 136.83 22.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -135.94 170.98 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -94.6 166.67 14.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 126.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.768 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.06 13.23 29.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -112.53 112.68 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 93.5 m -71.09 113.74 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 46' ' ' ILE . 2.6 mp -95.56 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.06 107.21 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.614 ' CG2' HD12 ' A' ' 60' ' ' ILE . 19.0 t -94.67 114.87 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.64 -160.02 8.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -101.93 -56.5 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.725 HG12 HG22 ' A' ' 55' ' ' THR . 6.6 pt -74.3 128.62 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 42' ' ' ARG . 22.1 m -42.49 -54.37 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER 33.98 -158.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.8 89.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -56.92 160.63 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -59.62 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.587 HG12 HD13 ' A' ' 27' ' ' LEU . 44.3 mt -113.51 140.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 41' ' ' VAL . . . -138.33 132.33 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 17' ' ' PHE . 5.5 mt -129.86 119.56 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -91.92 72.73 5.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 25.8 t0 -111.57 9.93 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 73.36 -59.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.84 -22.38 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.487 HD13 ' HB ' ' A' ' 48' ' ' ILE . 48.9 mt -96.59 139.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 163.6 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.725 HG22 HG12 ' A' ' 40' ' ' ILE . 22.5 p -42.09 -65.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.98 68.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.644 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.7 t-160 -67.53 -63.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.43 170.5 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -137.25 139.02 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.614 HD12 ' CG2' ' A' ' 37' ' ' VAL . 12.5 mt -102.15 132.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 166.64 24.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.27 153.56 37.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -120.69 109.1 14.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.68 -83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.4 24.14 3.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -128.84 159.81 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 89.8 m95 -113.61 138.76 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.64 158.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -123.53 142.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -138.95 124.57 19.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 30.1 t0 -84.83 106.31 16.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.56 60.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.65 56.96 0.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.644 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 6.0 p -69.05 154.14 42.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 72.19 9.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 168.34 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.41 144.51 8.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.652 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.5 m -103.9 139.84 38.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.9 mt -115.95 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' SER . 36.3 tp -126.33 109.57 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 61.4 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.6 m -148.53 60.65 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -175.61 142.06 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.761 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -85.87 124.19 32.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.652 HD12 ' CG2' ' A' ' 78' ' ' THR . 37.4 mt -67.04 172.38 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.64 152.43 77.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -74.98 -35.91 2.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -93.77 27.3 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -146.76 146.2 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.1 p -126.4 128.18 46.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -110.63 157.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -96.82 124.03 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 93' ' ' LEU . 24.2 mt -63.81 164.95 9.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 109' ' ' VAL . . . -146.26 -168.1 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.9 116.85 32.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.21 22.08 30.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.19 121.86 28.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.87 123.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.404 HG12 HD13 ' A' ' 80' ' ' LEU . 18.7 mt -106.71 108.14 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -97.84 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 107' ' ' ILE . 0.8 OUTLIER -125.19 171.03 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.47 -127.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -102.89 -54.27 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -143.17 30.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -92.1 117.69 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.0 m -117.27 128.37 55.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.503 ' CD1' HD21 ' A' ' 101' ' ' LEU . 34.1 mt -114.84 142.95 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.7 tp -109.24 142.33 40.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.8 t -104.96 113.81 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -120.02 128.11 53.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -93.35 106.86 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.0 t -91.28 116.46 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.2 t -107.22 119.53 39.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.28 -176.98 51.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.39 132.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.2 t -174.66 -58.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 8.3 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.99 27.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -63.27 147.75 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 35' ' ' ILE . 42.9 tp -91.8 114.76 27.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.9 ttt180 -113.55 103.38 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 107' ' ' ILE . 69.2 mt -87.24 111.25 20.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.7 124.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.0 m-85 -82.21 88.83 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.0 m -74.78 -32.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.63 -178.39 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -172.28 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.4 20.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.54 3.37 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -39.33 115.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.29 1.75 24.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.51 162.94 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.85 141.35 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -125.23 169.8 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.62 134.58 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.09 162.9 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -84.12 163.76 46.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.96 130.38 13.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.58 19.29 38.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.12 107.35 15.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 m -60.94 129.58 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.0 mt -116.53 96.18 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.64 106.25 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 47.8 t -93.95 119.11 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.14 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 4.5 ttt180 -101.12 -43.29 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.516 HG12 HG22 ' A' ' 55' ' ' THR . 16.8 pt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.721 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.89 138.53 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -131.51 127.94 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.79 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.2 mt -120.37 129.32 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.69 65.03 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' ILE . 5.4 t0 -108.95 4.57 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 72.11 -60.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.76 -24.69 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' A' ' 48' ' ' ILE . 7.8 mt -92.28 139.54 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.05 159.16 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 HG12 ' A' ' 40' ' ' ILE . 65.7 p -38.7 -58.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 2.9 t-160 -71.16 -65.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -153.18 170.33 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB3' HD21 ' A' ' 72' ' ' LEU . 9.1 ptt180 -132.31 143.22 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.468 HG21 HD21 ' A' ' 13' ' ' LEU . 50.1 mt -106.77 135.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -148.94 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.349 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 163.49 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -127.03 95.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.12 -81.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.24 42.16 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -153.69 168.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.651 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.3 m95 -112.4 141.52 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.3 m -139.56 154.94 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.0 145.52 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -139.74 125.28 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' GLY . 37.9 t0 -84.3 106.26 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -69.97 60.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.53 50.27 1.0 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 79.6 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.449 HG21 ' CD2' ' A' ' 58' ' ' LEU . 25.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 84' ' ' ALA . 34.7 mt -116.98 143.05 46.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 85' ' ' LEU . 24.0 tp -127.08 104.92 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 66.0 m-80 66.64 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.4 t -162.3 47.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -158.67 136.3 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.776 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.78 122.82 28.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 80' ' ' LEU . 29.9 mt -70.24 170.85 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.68 154.52 81.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.12 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.553 1.818 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.57 19.39 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 m -140.51 141.39 35.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 82.8 p -122.19 131.49 53.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.66 157.22 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -98.33 126.01 43.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 109' ' ' VAL . 82.6 mt -64.84 161.77 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -139.97 -167.53 11.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 104.65 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.17 27.13 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.22 124.62 34.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -94.61 127.06 46.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mt -108.68 106.99 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -99.13 105.57 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.57 167.6 14.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.7 -131.57 26.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -100.75 -63.49 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -133.27 48.94 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 m -114.67 121.29 42.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.724 ' HB2' HG23 ' A' ' 18' ' ' VAL . 28.8 m -122.9 135.2 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.475 HG21 HD22 ' A' ' 15' ' ' LEU . 19.3 mt -122.73 132.13 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.7 tp -100.17 134.26 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 75.6 t -98.55 120.74 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.56 130.63 49.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.448 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 14.3 m-85 -91.83 106.6 18.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.06 29.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -64.07 148.99 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 67' ' ' TRP . 27.2 tp -91.88 113.21 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -112.24 102.75 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 ' CG2' ' A' ' 107' ' ' ILE . 80.2 mt -89.52 109.5 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.36 132.27 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.54 87.09 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.756 HG11 HD12 ' A' ' 108' ' ' LEU . 4.2 m -71.25 -34.09 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 14.3 mttt -135.72 -177.26 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 95.27 -171.95 30.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.63 18.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -104.41 15.65 27.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.12 115.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.75 0.05 23.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.31 165.13 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.21 151.98 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -131.62 172.22 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.11 135.93 20.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 35' ' ' ILE . 97.4 m-85 -139.71 153.66 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.31 164.27 60.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.5 Cg_endo -74.99 130.32 13.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.31 6.66 56.57 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.99 106.21 16.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 60' ' ' ILE . 25.1 m -61.7 129.65 42.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.638 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -114.54 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 118.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 32.8 t -103.54 118.32 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.01 -155.29 6.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -109.32 -24.58 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.41 HG12 HG22 ' A' ' 55' ' ' THR . 4.9 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.7 mt -93.4 137.43 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -132.31 127.95 36.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.84 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.4 mt -119.67 131.81 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.1 65.71 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.3 t0 -109.76 -6.85 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.44 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -26.14 24.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.7 mt -92.37 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.2 160.05 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 55' ' ' THR . 73.8 p -40.59 -60.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 71.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 4.3 t60 -75.52 -65.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -153.87 170.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -136.7 144.05 43.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 34' ' ' THR . 13.0 mt -108.01 140.83 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.31 167.88 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.78 143.96 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -144.22 154.62 43.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.56 61.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 42.4 42.67 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -149.72 168.56 23.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.38 147.14 33.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.33 147.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.0 142.09 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -142.11 121.56 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -90.91 114.53 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.25 56.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.2 50.37 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.725 ' HB ' HD12 ' A' ' 85' ' ' LEU . 6.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 84' ' ' ALA . 12.5 mt -111.68 148.47 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 97' ' ' ASP . 46.9 tp -126.57 112.3 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 60.98 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 20.2 m -148.65 64.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t30 179.56 147.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.9 133.98 33.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.725 HD12 ' HB ' ' A' ' 78' ' ' THR . 48.5 mt -71.94 -175.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -143.93 140.04 16.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.44 12.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -100.9 29.24 4.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.9 m -156.99 152.63 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -125.41 127.78 47.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.5 t -109.21 157.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -95.93 122.65 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 109' ' ' VAL . 30.9 mt -58.95 157.84 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.32 156.51 26.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 123.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 88.64 23.5 36.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.552 ' HB3' HD11 ' A' ' 80' ' ' LEU . 7.2 m-20 -94.94 122.53 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -90.49 130.39 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 109' ' ' VAL . 22.9 mt -109.4 109.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -97.6 105.71 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HB3' HG23 ' A' ' 78' ' ' THR . 1.2 pt? -125.29 170.16 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.47 -109.57 2.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -119.78 -68.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -114.95 -28.33 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 2.1 m -38.32 131.08 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.756 ' HB2' HG23 ' A' ' 18' ' ' VAL . 41.7 m -134.79 134.47 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.423 ' CG2' HD22 ' A' ' 15' ' ' LEU . 33.4 mt -119.84 134.09 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 HG11 ' A' ' 18' ' ' VAL . 1.2 tt -102.62 138.43 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 93' ' ' LEU . 75.0 t -102.24 119.03 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.464 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -128.84 128.46 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -91.1 113.94 26.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 31' ' ' PRO . 22.2 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.72 29.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -66.02 147.75 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 60' ' ' ILE . 48.3 tp -91.79 114.98 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 4.8 ttt180 -113.82 99.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 60' ' ' ILE . 77.8 mt -82.91 111.26 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -99.71 124.98 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 15.2 m-85 -83.68 88.49 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.765 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -73.87 -33.25 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.6 -170.23 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.31 -170.52 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.95 -22.27 15.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -93.19 3.43 55.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.02 114.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.66 1.46 29.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.94 159.67 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.98 132.78 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.4 mt -116.83 170.24 8.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -148.46 133.81 18.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.99 159.46 41.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 164.28 55.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 130.28 13.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.71 16.84 43.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.24 110.8 20.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.2 m -63.96 125.91 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.551 HD13 HD23 ' A' ' 13' ' ' LEU . 3.3 mt -112.35 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -76.58 111.96 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 37.8 t -100.48 110.85 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.73 -151.95 7.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt180 -105.88 -32.39 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 55' ' ' THR . 23.8 pt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -93.99 137.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -132.67 127.31 34.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.83 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.9 mt -118.6 123.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -91.98 62.74 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.1 t70 -105.7 -8.14 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.89 -52.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.99 -17.9 10.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.83 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.3 mt -100.69 138.19 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -100.01 159.92 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 40' ' ' ILE . 16.4 p -44.27 -35.3 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -132.51 68.06 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.5 t60 -67.26 -66.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -150.06 170.81 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.1 ptt180 -133.79 138.39 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 13' ' ' LEU . 74.8 mt -102.48 138.41 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.23 165.42 31.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.54 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 29.4 t -125.89 147.56 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.5 m-20 -156.89 160.65 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.57 53.98 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.5 37.69 6.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.8 m120 -148.07 165.19 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.605 ' CE3' HD22 ' A' ' 13' ' ' LEU . 93.8 m95 -106.88 148.5 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.15 151.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 tt -117.83 145.84 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -140.91 123.17 15.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 12.3 t0 -84.84 106.94 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -69.91 61.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 37.08 45.75 1.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.634 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 96.1 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.5 ' CG2' HD12 ' A' ' 85' ' ' LEU . 60.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 84' ' ' ALA . 30.5 mt -134.03 130.75 37.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.506 HD12 ' OD1' ' A' ' 97' ' ' ASP . 49.9 tp -117.53 113.21 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 62.23 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -151.53 57.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -173.57 141.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.99 124.17 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 78' ' ' THR . 82.9 mt -65.79 176.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.98 148.69 65.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.05 23.81 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 m -153.13 140.79 19.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.12 129.7 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.2 158.64 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.67 131.27 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 109' ' ' VAL . 53.5 mt -69.08 156.81 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.77 149.07 20.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.94 125.04 25.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 0.801 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.95 3.03 58.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -73.61 153.62 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.32 109.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.74 110.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.53 105.82 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.27 164.14 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.93 -134.63 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.88 -66.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -128.67 49.87 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 m -117.39 122.39 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.765 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -123.33 133.67 54.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.56 ' CD1' HD21 ' A' ' 101' ' ' LEU . 33.7 mt -120.52 135.51 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 109' ' ' VAL . 5.3 tp -102.91 144.05 31.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.659 ' H ' HD12 ' A' ' 108' ' ' LEU . 73.2 t -104.35 121.66 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.79 127.45 42.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.6 m-85 -93.68 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 31' ' ' PRO . 47.2 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.42 36.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.04 147.75 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 HD13 ' A' ' 35' ' ' ILE . 46.7 tp -91.74 120.49 32.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.595 HH21 HG22 ' A' ' 112' ' ' VAL . 9.7 ttm180 -118.89 100.82 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 72.8 mt -86.11 109.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.83 127.0 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.01 90.26 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.736 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -76.11 -30.63 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -136.06 -176.42 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.44 -172.25 39.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.16 19.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 4.22 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.33 115.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.52 -4.39 26.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.12 158.75 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -157.13 136.62 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -121.56 168.72 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' TYR . 44.0 t0 -146.07 141.12 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 98.2 m-85 -141.78 163.06 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 162.33 56.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.01 128.13 11.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.67 9.35 46.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.4 106.07 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.736 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 m -61.23 120.82 11.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.671 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -106.8 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLU . 24.5 mtp180 -75.94 112.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.5 t -98.29 121.0 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.66 -154.98 6.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -107.99 -32.07 7.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 55' ' ' THR . 42.2 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ARG . 33.3 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -91.95 131.75 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.17 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 105' ' ' THR . 7.8 mt -114.82 137.19 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 53.07 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 14.2 t0 -103.83 -17.59 14.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.58 -51.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.01 -24.89 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.769 HG12 HD12 ' A' ' 101' ' ' LEU . 6.2 mt -97.16 145.05 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.84 156.83 17.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.829 HG23 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -39.75 -53.78 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.58 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -152.44 171.72 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.472 ' HB3' HD21 ' A' ' 72' ' ' LEU . 7.6 ptt180 -135.58 143.19 45.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.481 HG21 HD21 ' A' ' 13' ' ' LEU . 87.3 mt -104.73 138.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 165.18 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.4 t -126.66 141.66 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.5 161.55 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.01 52.78 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.46 44.79 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -153.13 168.75 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 31' ' ' PRO . 96.8 m95 -109.09 144.61 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.21 152.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.32 143.72 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -142.29 127.23 18.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.95 113.33 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -74.83 57.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.31 65.93 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 58' ' ' LEU . 5.5 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 84' ' ' ALA . 44.4 mt -117.73 141.19 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 97' ' ' ASP . 21.1 tp -126.93 105.46 8.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.421 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 59.5 m-80 67.31 -68.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -164.61 54.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -167.67 135.29 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.676 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.3 120.15 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.01 171.87 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.4 152.85 81.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.23 2.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.22 24.25 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.8 m -144.63 142.55 30.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.411 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 80.4 p -126.34 130.71 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.42 152.37 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -89.58 121.02 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 109' ' ' VAL . 63.3 mt -55.23 160.81 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.15 149.57 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.409 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -63.76 114.48 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.42 13.63 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.9 m-20 -84.11 125.48 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.65 125.21 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.4 mt -107.78 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -99.6 106.1 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.769 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.12 163.69 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.66 -126.13 10.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.53 -68.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -128.71 53.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.406 HG21 HD13 ' A' ' 48' ' ' ILE . 2.6 m -120.68 121.16 37.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 18.1 m -122.36 135.24 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.08 134.1 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.3 tp -100.59 140.2 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 65.9 t -105.01 119.78 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.95 131.18 53.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 11.9 m-85 -93.14 107.76 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HH21 ' A' ' 14' ' ' ARG . 23.7 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 31' ' ' PRO . 94.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.38 36.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -64.57 148.18 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 35' ' ' ILE . 56.6 tp -91.34 115.59 28.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.8 ttt180 -113.43 102.7 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 107' ' ' ILE . 71.9 mt -87.13 111.95 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.72 124.57 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.45 83.96 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.4 m -70.51 -33.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.0 mttm -136.77 179.13 6.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.48 -172.97 24.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -15.43 20.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -109.5 16.81 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -48.21 118.5 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.27 5.59 22.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.55 163.18 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.89 132.18 10.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -117.62 169.34 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.92 145.61 27.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -147.19 166.72 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 162.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 129.16 12.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.15 13.28 53.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.84 108.8 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -62.59 119.78 9.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 3.4 mt -107.1 94.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -76.55 114.86 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 15.1 t -103.47 129.11 55.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -148.11 -146.18 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.5 ttt180 -110.31 -41.7 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.3 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' ARG . 67.6 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.0 mt -95.45 140.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -133.14 146.1 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.854 ' HB ' HD13 ' A' ' 53' ' ' ILE . 27.1 mt -136.56 119.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -88.2 68.83 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -119.19 -3.05 10.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.72 -60.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.85 -28.75 0.15 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.854 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.2 mt -93.79 140.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.812 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -108.66 162.26 14.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 p -38.43 -64.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 70.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 3.0 t-160 -69.25 -63.73 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -155.73 171.9 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 ptt180 -134.88 141.36 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.465 HG21 HD21 ' A' ' 13' ' ' LEU . 89.8 mt -105.69 139.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 166.96 30.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -124.62 140.94 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.1 160.59 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.08 56.14 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.35 44.49 7.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -154.97 167.68 29.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.9 m95 -105.71 147.03 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.11 156.39 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.63 144.07 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -142.21 126.27 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 110.58 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -74.65 57.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.99 55.97 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 4.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' ' 84' ' ' ALA . 19.1 mt -109.7 143.64 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 97' ' ' ASP . 26.7 tp -127.25 107.44 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.8 m-80 63.79 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -156.33 47.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -159.29 138.08 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -82.93 124.54 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 80' ' ' LEU . 30.6 mt -73.43 170.27 15.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.44 150.93 75.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.64 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.54 1.81 . . . . 0.0 111.043 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.52 33.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -157.4 146.65 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.8 p -119.66 130.38 55.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.4 t -112.9 149.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -90.75 123.44 34.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 109' ' ' VAL . 49.5 mt -65.93 171.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.33 152.15 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 27.3 t0 -63.02 106.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.98 16.59 9.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.532 ' HB3' HD11 ' A' ' 80' ' ' LEU . 8.3 m-20 -88.45 120.89 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.74 117.88 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.74 109.85 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -100.23 104.86 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.06 171.26 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.77 -129.56 33.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -105.34 -62.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.89 47.94 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.649 HG21 HD13 ' A' ' 48' ' ' ILE . 1.8 m -114.89 121.74 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.811 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.9 m -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.415 ' CG2' HD22 ' A' ' 15' ' ' LEU . 14.3 mt -125.55 132.17 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.655 HD12 ' H ' ' A' ' 109' ' ' VAL . 6.0 tp -100.9 142.31 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -106.64 117.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.56 130.24 51.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 19.8 m-85 -92.82 106.33 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 22.3 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.11 34.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 149.36 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 HD13 ' A' ' 35' ' ' ILE . 50.8 tp -91.62 115.91 28.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' HG2' HG23 ' A' ' 16' ' ' VAL . 10.2 ttp180 -114.1 104.43 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HG21 ' A' ' 107' ' ' ILE . 79.2 mt -90.46 108.57 19.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' HG2' ' A' ' 14' ' ' ARG . 88.3 t -99.05 124.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -82.22 89.3 6.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.755 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.59 -29.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.4 mttm -138.94 177.04 8.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.76 -170.2 25.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.24 4.17 48.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -39.92 114.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.85 -1.21 25.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.23 158.7 16.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.87 146.53 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.582 HD13 HG12 ' A' ' 46' ' ' ILE . 1.4 mt -130.92 172.65 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.1 145.42 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 46' ' ' ILE . 79.4 m-85 -146.34 157.58 43.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -78.5 162.44 65.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.592 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 131.36 14.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.66 15.44 40.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.37 105.44 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 60' ' ' ILE . 17.7 m -60.94 129.14 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.759 HD13 HD23 ' A' ' 13' ' ' LEU . 2.8 mt -114.72 103.7 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -82.29 109.71 16.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 56.3 t -96.41 118.34 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.97 -149.81 5.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 3.8 ttt180 -106.13 -22.17 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 55' ' ' THR . 7.8 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.582 HG12 HD13 ' A' ' 27' ' ' LEU . 35.2 mt -131.45 138.91 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.477 ' HB2' ' C ' ' A' ' 40' ' ' ILE . . . -130.86 138.83 50.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -115.75 141.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 65.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.669 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -114.84 -10.33 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.43 -52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.57 -20.2 5.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.845 HD13 ' HB ' ' A' ' 48' ' ' ILE . 8.0 mt -95.31 142.78 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.37 154.91 20.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.504 HG22 HG12 ' A' ' 40' ' ' ILE . 68.7 p -39.37 -47.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 69.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -71.61 -65.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -150.75 171.83 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.6 ptt180 -133.51 140.67 47.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 13' ' ' LEU . 13.2 mt -108.06 143.41 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -153.58 170.21 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.363 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 1.2 t -128.13 156.39 42.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.99 157.85 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.18 51.29 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.81 43.15 38.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -150.49 167.44 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 13' ' ' LEU . 94.2 m95 -111.28 143.32 42.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.04 145.09 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.4 148.15 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 89' ' ' THR . 2.7 tt0 -142.63 133.53 25.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.2 t70 -86.29 112.99 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -73.41 58.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.08 47.45 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 73.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.95 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 84' ' ' ALA . 46.7 mt -124.94 140.75 52.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 97' ' ' ASP . 19.8 tp -125.1 103.93 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.7 m-80 66.94 -69.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -162.69 58.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -173.99 133.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.17 120.66 21.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.19 174.08 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.86 150.74 69.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.97 -62.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.78 -28.4 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 2.7 m -96.46 148.82 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.6 p -125.35 142.03 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.65 156.8 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.49 124.44 38.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 109' ' ' VAL . 80.6 mt -62.53 156.53 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.65 151.33 22.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -65.63 110.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.94 12.89 26.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' LEU . 16.0 m-20 -84.82 122.16 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 t -91.65 124.25 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.94 110.21 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -99.79 105.77 17.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.622 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.3 166.78 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.58 -136.96 39.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -91.94 -76.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -122.56 55.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.667 HG21 HD13 ' A' ' 48' ' ' ILE . 4.0 m -118.56 126.21 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.755 ' HB2' HG23 ' A' ' 18' ' ' VAL . 17.4 m -127.55 133.12 49.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.551 HG21 HD22 ' A' ' 15' ' ' LEU . 36.6 mt -119.44 140.45 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.9 tp -109.45 125.36 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.683 HG21 HD22 ' A' ' 93' ' ' LEU . 75.8 t -89.94 120.27 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.69 52.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.8 m-85 -99.66 106.92 18.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' PRO . 88.2 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.97 42.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -72.91 145.3 46.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.761 HD21 HG13 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -92.02 110.53 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG2' HG23 ' A' ' 16' ' ' VAL . 24.8 ttp180 -107.51 112.41 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 107' ' ' ILE . 77.9 mt -92.36 107.85 19.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 14' ' ' ARG . 94.7 t -101.98 125.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 84.0 m-85 -83.29 90.28 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.862 HG11 HD12 ' A' ' 108' ' ' LEU . 16.0 m -74.12 -27.52 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -138.4 -174.06 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -171.05 41.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.2 Cg_endo -74.98 -23.61 13.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 1.4 mtt180 -93.2 6.47 47.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -42.72 116.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.15 -5.04 26.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.08 157.98 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.61 134.55 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.35 170.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -147.27 141.06 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -138.48 167.02 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -86.65 163.1 42.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.626 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 124.7 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.76 11.71 36.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -110.32 120.31 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 60' ' ' ILE . 24.9 m -74.77 132.62 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.72 96.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.43 121.23 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 27.4 t -109.94 120.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.27 -149.9 5.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 49' ' ' LYS . 1.1 ttt180 -102.05 -43.57 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 18.6 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 58.4 mt -97.67 142.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -153.25 119.28 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.653 ' HB ' HD13 ' A' ' 53' ' ' ILE . 1.7 mt -106.05 121.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 12.3 mmmm -85.28 62.15 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.6 t0 -102.2 1.13 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.27 -59.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.34 -25.49 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.653 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -94.35 153.09 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -116.8 155.64 28.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 22.0 p -36.79 -57.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 73.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -75.41 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -156.04 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG2' HD11 ' A' ' 72' ' ' LEU . 13.1 ptt180 -137.0 140.32 42.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 34' ' ' THR . 11.0 mt -105.27 139.15 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 178.45 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 3.1 t -139.32 139.06 37.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.49 -153.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -39.0 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.7 46.26 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -153.99 166.21 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 81.9 m95 -112.87 146.78 38.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.02 152.49 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.546 HD12 ' CG1' ' A' ' 60' ' ' ILE . 2.3 tt -123.78 143.68 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.34 126.03 22.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 44.2 t0 -83.62 105.94 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.92 60.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.82 58.87 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 10.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.612 ' CG2' HD12 ' A' ' 85' ' ' LEU . 39.7 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.0 mt -113.26 140.9 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' SER . 27.6 tp -127.26 106.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.2 m-80 62.86 -76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -153.6 61.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -175.43 138.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -83.05 120.4 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 78' ' ' THR . 46.1 mt -64.54 170.32 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.6 153.97 81.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.93 -38.3 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -91.83 34.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -155.61 145.55 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 96.2 p -124.6 126.37 45.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.18 144.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.1 116.73 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 109' ' ' VAL . 83.2 mt -57.84 162.92 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -149.0 153.77 25.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.8 OUTLIER -70.04 106.08 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.1 17.05 7.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 41.7 m-20 -91.75 141.75 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.61 119.15 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mt -100.31 105.33 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -96.01 105.5 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -125.22 161.74 26.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.29 -134.02 18.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.51 -64.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -137.34 49.3 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.47 HG21 HD13 ' A' ' 48' ' ' ILE . 2.5 m -113.45 115.96 28.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.7 ' HB2' HG23 ' A' ' 18' ' ' VAL . 32.2 m -116.08 134.96 54.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.483 HG21 HD22 ' A' ' 15' ' ' LEU . 23.3 mt -120.6 131.37 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.862 HD12 HG11 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.56 143.9 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.761 HG13 HD21 ' A' ' 13' ' ' LEU . 65.1 t -109.6 113.49 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.542 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -123.01 133.35 54.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.4 m-85 -92.1 106.86 18.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.423 HG22 ' NH2' ' A' ' 14' ' ' ARG . 25.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 31' ' ' PRO . 21.9 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.95 139.22 24.16 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.645 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -57.75 154.51 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 35' ' ' ILE . 17.8 tp -91.18 110.6 21.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.82 99.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 HG21 ' A' ' 107' ' ' ILE . 70.4 mt -88.69 114.18 25.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.12 125.0 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 18.4 m-85 -83.44 90.1 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.4 m -76.14 -31.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 15.1 mttt -134.48 -175.16 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 87.81 -172.82 42.77 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.45 20.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.764 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.3 mtp85 -98.04 3.18 49.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 117.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.13 1.34 33.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.13 158.72 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.04 138.56 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.79 168.35 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.89 137.56 22.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD11 ' A' ' 35' ' ' ILE . 98.7 m-85 -138.55 151.62 47.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -69.51 162.78 64.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.599 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.02 132.43 15.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.62 8.16 61.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 116.68 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.6 m -68.1 118.35 11.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.827 HD13 HD23 ' A' ' 13' ' ' LEU . 3.8 mt -103.57 94.73 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -79.55 105.22 10.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.436 HG23 HD12 ' A' ' 60' ' ' ILE . 45.3 t -96.2 125.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.42 -155.04 6.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -103.3 -41.87 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 55' ' ' THR . 3.9 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mt -138.84 142.21 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -135.91 117.4 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.7 ' HB ' HD13 ' A' ' 53' ' ' ILE . 4.6 mt -108.81 122.3 63.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -90.37 68.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.663 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.1 t70 -109.55 -4.7 16.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.27 -58.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -23.42 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.7 HD13 ' HB ' ' A' ' 48' ' ' ILE . 13.7 mt -93.48 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 166.53 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' ILE . 55.6 p -45.54 -56.94 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -112.47 67.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.2 t-160 -65.31 -67.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -147.93 172.62 13.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -135.41 129.07 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.586 HG12 HD12 ' A' ' 69' ' ' ILE . 6.2 mt -105.33 137.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.78 168.15 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.01 171.92 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.27 89.85 2.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.35 -72.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 34.51 1.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.15 165.24 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.638 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.3 m95 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.87 155.37 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.586 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -126.49 147.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -140.35 128.05 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.0 t0 -85.73 105.36 16.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -72.4 57.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.21 50.42 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 88.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 85' ' ' LEU . 19.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.2 mt -117.65 133.04 56.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD22 HD21 ' A' ' 85' ' ' LEU . 29.5 tp -117.96 109.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 60.39 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 4.7 t -144.85 61.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -179.34 142.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.755 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.45 123.75 28.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 HD22 ' A' ' 80' ' ' LEU . 92.6 mt -61.47 -176.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.88 144.24 31.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.5 Cg_endo -74.96 -37.54 2.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -90.99 34.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 67.7 m -158.13 146.95 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.6 p -123.26 122.62 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.89 148.98 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -89.68 114.24 25.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.41 147.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -120.93 -167.57 13.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.43 121.93 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.04 30.56 46.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.37 120.26 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.8 120.94 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.94 109.59 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -98.65 104.87 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -126.02 161.82 26.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.62 -140.74 32.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.597 1.186 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -92.88 -69.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLY . 96.6 m-85 -124.85 46.83 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -115.52 123.11 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.722 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -127.59 134.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 15' ' ' LEU . 29.6 mt -118.38 140.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 109' ' ' VAL . 2.0 tp -108.73 131.19 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 108' ' ' LEU . 58.6 t -97.64 116.96 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.512 ' ND2' HD11 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -124.02 121.54 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.479 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 11.4 m-85 -83.4 108.21 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 24.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 13.6 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.16 26.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.637 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.71 154.14 15.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD23 HD13 ' A' ' 35' ' ' ILE . 17.7 tp -91.11 110.58 21.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.068 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -105.42 98.84 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 107' ' ' ILE . 78.9 mt -86.8 109.91 19.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 57.9 t -99.67 125.99 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 5.7 m-85 -85.02 88.03 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' HB2' ' A' ' 106' ' ' SER . 11.0 m -75.07 -27.49 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -141.93 173.75 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.61 -171.51 23.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.98 -16.6 20.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.13 6.84 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.22 117.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.224 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 5.79 33.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.41 161.22 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.06 126.59 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -113.23 170.52 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -148.73 134.62 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -135.23 148.79 49.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -70.71 164.52 54.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 137.23 21.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 15.78 63.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.14 104.32 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 35.1 m -61.25 122.96 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.715 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -107.24 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 104.97 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 46' ' ' ILE . 42.1 t -92.49 118.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.05 -153.12 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.436 1.085 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -109.62 -36.14 6.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.553 HG12 HG22 ' A' ' 55' ' ' THR . 4.6 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.1 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 HG22 ' A' ' 37' ' ' VAL . 68.3 mt -137.89 139.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.42 120.3 19.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.868 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.0 mt -110.53 132.6 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 71.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.613 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.2 t70 -120.92 -1.69 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.0 -58.11 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.06 -24.93 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.868 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -94.46 141.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.32 159.35 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 40' ' ' ILE . 81.5 p -39.21 -60.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -107.68 68.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.493 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.2 t-160 -70.65 -66.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -152.96 170.86 19.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -134.98 143.13 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 13' ' ' LEU . 17.5 mt -109.16 139.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.42 160.72 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -116.97 141.18 48.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -110.3 -153.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.5 m -44.36 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 37.59 48.74 1.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -156.28 165.14 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.1 m95 -114.15 145.24 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.74 152.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 2.7 tt -124.47 147.03 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.27 127.11 18.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.5 t70 -85.88 110.45 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -76.77 54.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.48 68.11 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.493 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 28.9 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.441 ' OG1' HD23 ' A' ' 58' ' ' LEU . 16.6 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.3 mt -107.7 140.47 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' SER . 16.6 tp -127.24 107.64 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.9 m-80 66.25 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.7 m -163.37 56.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -170.14 136.58 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.628 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.93 118.73 21.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 78' ' ' THR . 39.8 mt -65.52 169.17 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.51 145.46 36.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.4 Cg_endo -74.94 -28.76 9.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.78 7.06 47.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.2 m -136.01 135.91 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.23 127.35 55.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.13 151.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 112.48 21.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 109' ' ' VAL . 34.4 mt -50.17 164.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.82 154.56 25.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.93 114.17 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.94 16.02 24.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 80' ' ' LEU . 4.4 m-20 -87.91 125.12 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.58 123.92 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.11 106.53 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -97.02 104.97 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -126.06 161.57 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.86 -131.5 15.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -101.69 -64.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -131.34 49.02 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 HD13 ' A' ' 48' ' ' ILE . 7.2 m -116.96 118.61 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.744 ' HB2' HG23 ' A' ' 18' ' ' VAL . 46.9 m -121.4 133.75 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 15' ' ' LEU . 15.7 mt -120.75 127.1 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -96.15 136.99 35.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -101.01 121.2 51.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.07 122.83 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.44 111.42 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.637 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 20.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 31' ' ' PRO . 19.8 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.58 42.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -74.43 147.05 42.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.67 110.62 21.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -112.37 108.92 18.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 46' ' ' ILE . 62.6 mt -89.81 115.43 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.63 124.82 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 56.3 m-85 -86.61 90.31 8.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.0 m -77.86 -30.16 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 1.9 mmtt -132.97 -169.54 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 79.42 -169.48 53.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -25.14 12.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 8.3 mtp180 -87.07 0.32 55.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 28.9 tt0 -39.61 114.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.44 -3.62 29.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -102.24 156.3 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.51 150.92 28.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 46' ' ' ILE . 6.9 mt -138.41 168.74 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -148.26 143.09 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -141.43 162.76 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.49 166.17 36.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.97 130.6 13.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.97 19.01 32.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -117.56 111.83 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -67.47 132.42 47.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.9 mt -116.97 94.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -75.66 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 90.9 t -93.81 120.02 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.42 -150.48 5.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -104.8 -22.12 13.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 20.0 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.657 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.9 tp10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.518 ' CD1' HD12 ' A' ' 15' ' ' LEU . 57.4 mt -139.53 144.45 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -133.45 149.18 51.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.856 ' HB ' HD13 ' A' ' 53' ' ' ILE . 3.4 mt -134.97 119.83 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.93 69.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 61.2 t0 -114.98 -9.43 12.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 81.89 -57.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.48 -21.87 3.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.856 HD13 ' HB ' ' A' ' 48' ' ' ILE . 9.5 mt -91.99 143.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.23 168.9 8.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 p -49.96 -52.19 35.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -115.57 62.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.0 t60 -60.79 -65.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -149.37 172.74 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -133.5 131.68 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.7 mt -104.97 132.02 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 168.41 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.525 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 6.1 t -128.2 135.35 49.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.83 162.43 38.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.89 52.87 7.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.18 41.81 8.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -153.51 169.51 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 82.1 m95 -111.81 141.49 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.41 158.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -123.8 146.13 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -141.96 124.31 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.3 t0 -83.57 105.58 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -69.67 60.63 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.17 46.1 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.1 p . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.42 ' OG1' HD23 ' A' ' 58' ' ' LEU . 38.5 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 84' ' ' ALA . 31.1 mt -121.71 130.89 53.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 99' ' ' ILE . 8.8 tp -123.25 104.51 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . 57.8 m-80 51.26 80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ASN . 1.6 m 37.51 48.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.68 132.09 11.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.59 126.14 34.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -75.27 -175.33 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 150.32 53.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.84 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -92.89 31.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.8 m -152.41 147.5 26.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.5 p -128.33 120.31 26.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.01 159.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -97.08 117.26 30.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.765 HD22 HG21 ' A' ' 109' ' ' VAL . 46.6 mt -54.34 168.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.12 152.93 24.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.3 t70 -68.37 114.03 6.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 0.803 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.555 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 106.05 13.0 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.643 ' HB3' HD11 ' A' ' 80' ' ' LEU . 15.5 m-20 -88.16 124.33 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.68 114.49 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 80' ' ' LEU . 28.4 mt -95.47 110.0 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.38 105.02 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -125.96 163.73 22.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.35 -140.17 33.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -81.9 -70.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.2 53.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.454 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -110.83 120.53 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.635 ' HB2' HG23 ' A' ' 18' ' ' VAL . 13.1 m -117.32 131.22 56.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 101' ' ' LEU . 26.8 mt -120.22 128.58 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.647 HD22 ' ND2' ' A' ' 110' ' ' ASN . 1.7 tt -96.14 132.93 41.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.765 HG21 HD22 ' A' ' 93' ' ' LEU . 44.1 t -95.32 115.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.647 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -122.71 134.02 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -96.54 111.89 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 3.5 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.19 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -63.04 144.94 56.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -91.76 110.58 21.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.2 116.17 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 107' ' ' ILE . 81.5 mt -99.04 109.56 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -100.95 126.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 18.8 m-85 -85.04 88.02 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.4 m -74.99 -31.52 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 23.0 mttt -134.31 -173.79 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.62 -170.99 41.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.2 Cg_endo -75.03 -21.67 15.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.01 4.87 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -41.26 114.63 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.95 0.51 24.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.58 160.89 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.49 137.42 14.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.54 167.91 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -148.91 147.44 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.9 175.03 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.15 164.4 18.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 126.14 9.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.5 9.48 43.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.15 119.11 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -73.76 129.61 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.574 HD13 HD12 ' A' ' 13' ' ' LEU . 2.7 mp -113.51 95.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 5.1 mtm180 -78.76 109.1 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 t -95.76 118.85 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.37 -154.99 6.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -102.98 -32.19 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.3 mt -99.61 139.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.22 135.72 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.883 ' HB ' HD13 ' A' ' 53' ' ' ILE . 9.1 mt -125.2 116.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.8 71.81 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.596 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 t0 -120.59 -2.24 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 77.83 -55.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.3 -23.97 1.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.883 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -96.8 139.91 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.55 161.32 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -42.17 -54.27 3.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 70.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.4 t-160 -72.55 -64.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -155.8 172.71 17.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.411 ' HG2' HD11 ' A' ' 72' ' ' LEU . 14.9 ptt180 -137.07 143.15 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.408 HG12 HD12 ' A' ' 69' ' ' ILE . 58.6 mt -104.38 134.4 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -141.41 167.32 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.405 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -123.83 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -109.72 -153.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.76 93.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 39.41 47.34 2.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -155.99 164.88 37.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.545 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 91.5 m95 -114.5 145.25 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.44 155.69 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 1.7 tt -124.65 143.03 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 72' ' ' LEU . 2.9 tt0 -142.02 119.78 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -77.15 110.17 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -69.24 64.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 36.72 45.22 1.01 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 84' ' ' ALA . 53.5 mt -127.05 141.86 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 97' ' ' ASP . 37.8 tp -126.77 103.41 7.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.4 m-80 66.37 -69.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -160.84 53.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -165.19 138.69 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.716 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.39 122.22 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.94 161.07 16.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.57 158.54 64.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 -63.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.06 -26.71 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.3 m -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.7 p -126.8 145.05 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.57 148.42 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -89.78 123.0 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 109' ' ' VAL . 24.4 mt -56.18 174.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.64 154.75 25.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.69 116.18 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.05 12.84 38.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.675 ' HB3' HD11 ' A' ' 80' ' ' LEU . 12.1 m-20 -86.17 121.9 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -92.41 123.12 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.51 106.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -99.49 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.23 167.81 14.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.78 -119.21 8.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -113.71 -69.28 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.285 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.36 49.18 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 HG21 HD13 ' A' ' 48' ' ' ILE . 2.0 m -115.9 124.38 50.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -123.29 138.41 54.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.427 HG21 HD22 ' A' ' 15' ' ' LEU . 11.6 mt -125.04 128.3 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -95.87 131.57 42.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 93' ' ' LEU . 48.6 t -97.84 116.64 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.511 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.05 135.28 53.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -98.71 106.94 19.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 31' ' ' PRO . 18.7 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.09 42.42 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -72.68 141.31 48.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.079 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -91.69 110.66 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 16' ' ' VAL . 29.9 ttp180 -111.5 117.0 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 107' ' ' ILE . 76.9 mt -96.9 108.38 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 14' ' ' ARG . 68.9 t -99.94 124.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 42.7 m-85 -83.66 89.58 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.35 -31.55 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -136.18 -172.65 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 85.69 -168.69 41.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.01 5.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 4.2 mtp85 -83.71 -0.08 49.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 29.4 tt0 -39.23 117.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.01 -5.31 30.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.37 159.09 15.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.0 149.86 27.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG12 ' A' ' 46' ' ' ILE . 4.2 mt -135.38 171.29 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 6.9 t70 -147.05 150.01 34.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 28' ' ' ASP . 38.5 m-85 -147.64 154.43 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 162.98 69.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.0 128.61 11.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.67 16.54 28.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.25 120.26 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -76.06 122.01 23.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.8 mp -104.48 105.42 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -86.01 104.06 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 53.4 t -91.88 123.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.31 7.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -97.2 -26.24 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.855 HD11 HG23 ' A' ' 55' ' ' THR . 40.7 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 27' ' ' LEU . 23.1 mt -125.34 140.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.62 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -128.6 128.61 44.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.516 HG21 HG21 ' A' ' 105' ' ' THR . 3.9 mt -115.14 127.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.56 69.85 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 29.0 t0 -112.76 -6.78 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.77 -57.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.36 -21.9 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 63.1 mt -89.98 142.45 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.65 157.72 17.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.855 HG23 HD11 ' A' ' 40' ' ' ILE . 1.2 m -42.01 -50.94 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 66.66 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.0 t-160 -68.64 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.643 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.69 172.14 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -131.48 146.13 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ILE . 73.7 mt -113.15 135.03 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.02 168.56 20.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.503 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -128.75 142.22 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -152.25 155.08 37.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.21 58.67 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.24 39.81 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -150.32 167.47 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 83.3 m95 -112.03 146.46 37.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.005 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.9 157.18 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 tt -128.1 144.87 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -142.32 125.39 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -83.34 109.39 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.55 59.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.5 48.54 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.9 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.8 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.6 mt -118.87 139.97 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.8 tp -125.29 104.41 8.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 75.9 m-20 65.13 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -159.4 60.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -175.12 135.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.679 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.15 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 80' ' ' LEU . 39.2 mt -65.77 170.55 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.34 148.63 61.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.57 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' HG1' ' A' ' 89' ' ' THR . 43.3 mt-10 -90.6 31.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.451 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 81.2 m -153.59 143.34 21.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.4 p -118.69 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.84 149.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.11 135.9 33.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 109' ' ' VAL . 45.5 mt -77.3 171.18 15.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.2 155.6 26.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t70 -69.23 112.67 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.8 13.44 21.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -88.96 124.3 34.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.97 126.73 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.01 106.35 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -96.04 105.33 17.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 164.17 21.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.98 -142.59 38.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -140.97 50.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 48' ' ' ILE . 3.4 m -110.38 116.73 31.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -115.86 134.35 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 15' ' ' LEU . 43.0 mt -120.84 135.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 8.8 tp -102.73 138.66 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 53.1 t -102.72 115.99 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.48 140.55 52.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 15.3 m-85 -103.8 107.55 18.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 56.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.3 42.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -71.83 144.82 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -93.18 111.47 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -113.48 115.76 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 107' ' ' ILE . 79.1 mt -97.17 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -101.41 125.55 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 29.0 m-85 -83.28 89.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG11 HD12 ' A' ' 108' ' ' LEU . 15.6 m -74.17 -31.17 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -134.68 -170.87 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 -172.77 47.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.15 18.11 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 3.87 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -40.4 115.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.99 -2.05 24.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.03 156.2 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.1 138.86 17.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.9 170.44 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -149.12 147.35 28.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -145.26 171.56 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.57 165.19 18.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.01 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.81 13.14 44.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -111.71 109.24 19.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.5 m -66.55 123.11 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.7 mp -108.26 94.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -78.4 107.16 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.3 t -91.84 118.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.26 -146.82 5.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.2 ttt180 -116.58 -10.26 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 55' ' ' THR . 8.9 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.693 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -139.43 134.71 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.2 137.41 54.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.688 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.3 mt -122.84 131.36 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.34 68.32 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.619 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 7.1 t0 -115.82 -9.04 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.3 -55.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.45 -24.18 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -93.72 140.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 157.49 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 HG12 ' A' ' 40' ' ' ILE . 18.3 p -37.94 -53.06 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -116.13 69.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.2 t60 -69.53 -64.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.76 172.33 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.0 ptt180 -133.84 145.59 49.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.83 134.17 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -142.67 166.86 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.1 t -128.78 139.41 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -144.28 156.05 44.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.9 62.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 39.82 40.38 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.66 165.69 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 88.3 m95 -113.59 143.36 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.27 153.84 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.9 145.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.34 123.34 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLY . 19.6 t0 -82.77 107.07 15.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.6 61.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 37.84 42.91 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.618 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.2 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 85' ' ' LEU . 25.4 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 84' ' ' ALA . 45.2 mt -120.68 141.85 50.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 tp -127.16 103.54 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 56.4 m-80 66.91 -68.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' LEU . 5.0 m -163.06 57.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -172.01 133.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.704 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.13 121.53 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' CG2' ' A' ' 78' ' ' THR . 36.2 mt -65.93 165.65 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.56 152.68 62.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -40.39 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.3 12.54 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -139.38 141.79 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.8 125.99 38.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.62 160.46 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.82 122.21 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 109' ' ' VAL . 62.1 mt -58.38 167.35 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 97' ' ' ASP . . . -155.22 153.41 24.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -66.15 106.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.34 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 6.3 m-20 -93.07 125.23 37.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.85 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mt -103.83 107.86 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -98.42 105.91 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -124.94 162.19 24.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.68 -126.03 10.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.88 -68.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -130.45 50.65 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.3 m -115.46 120.46 39.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -120.04 135.74 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.472 HG21 HD22 ' A' ' 15' ' ' LEU . 32.3 mt -122.42 130.5 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -97.05 137.91 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 93' ' ' LEU . 54.7 t -102.89 116.77 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.494 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.53 135.32 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.3 m-85 -98.75 106.72 19.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 7.4 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 146.42 32.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -66.39 150.91 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 35' ' ' ILE . 22.4 tp -91.67 112.54 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -111.62 102.86 11.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.88 112.22 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 39.0 t -105.68 125.08 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 50.8 m-85 -85.22 91.63 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 106' ' ' SER . 12.2 m -76.0 -28.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -134.18 -175.01 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.26 -176.49 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.05 20.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.775 ' NH2' HG23 ' A' ' 46' ' ' ILE . 6.4 mtm180 -100.03 3.76 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 1.6 tm-20 -39.6 121.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.44 3.85 35.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.72 154.2 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.26 145.4 25.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 46' ' ' ILE . 1.1 mt -130.64 174.04 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -148.57 142.22 25.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CG ' HG12 ' A' ' 35' ' ' ILE . 94.3 m-85 -146.17 152.01 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.68 164.35 60.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -75.02 129.03 11.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.58 15.94 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.33 113.65 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -67.62 122.78 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.736 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -108.34 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -75.94 118.47 18.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 98.9 t -107.06 117.83 53.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.18 -154.44 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -104.91 -28.99 10.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 55' ' ' THR . 5.9 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' NH2' ' A' ' 22' ' ' ARG . 39.1 mt -93.94 137.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.87 140.16 43.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.8 mp -127.98 124.43 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 mmpp? -75.19 66.34 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.72 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -132.01 109.88 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.41 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -56.44 -46.1 88.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.746 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -80.67 167.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.538 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.81 172.3 13.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 40' ' ' ILE . 44.2 p -73.36 109.04 6.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.0 mttt 79.77 28.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.6 t60 -39.05 -57.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.664 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -151.32 171.89 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.4 ptt180 -134.2 133.28 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 HD21 ' A' ' 13' ' ' LEU . 70.7 mt -101.54 136.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 173.46 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -122.27 136.45 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 65' ' ' GLY . 9.0 t0 -102.16 -151.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.32 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 41.33 47.38 4.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.574 1.171 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -156.91 165.53 35.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.7 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.0 m95 -108.53 143.11 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.88 155.08 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.424 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -123.38 147.71 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -141.19 126.29 18.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.28 111.37 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.34 57.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.35 45.21 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.607 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.603 HG21 ' CD2' ' A' ' 58' ' ' LEU . 7.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 84' ' ' ALA . 29.8 mt -115.92 145.61 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 85' ' ' LEU . 14.4 tp -127.18 104.11 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 41.0 m-80 68.14 -67.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 11.5 p -165.11 43.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.19 134.25 11.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.79 122.8 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 80' ' ' LEU . 46.8 mt -68.73 176.76 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.6 147.33 63.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -35.14 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' HG1' ' A' ' 89' ' ' THR . 48.3 mt-10 -91.51 23.56 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 28.0 m -153.15 140.1 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.12 125.35 47.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.15 148.56 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 15.2 p-10 -84.26 113.71 21.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -49.75 164.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.2 161.06 27.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.25 100.17 3.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 112.16 19.88 6.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.34 123.62 33.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.19 123.74 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.81 104.1 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -94.89 105.47 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.3 164.15 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -132.04 24.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt-10 -95.03 -69.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -131.78 50.54 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 53' ' ' ILE . 5.3 m -114.33 116.43 28.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.2 m -117.55 132.15 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 101' ' ' LEU . 12.3 mt -119.1 124.25 72.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.576 HD21 ' HA2' ' A' ' 96' ' ' GLY . 2.3 tt -92.32 136.27 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 93' ' ' LEU . 59.4 t -101.51 121.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.495 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -128.37 127.8 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -89.41 108.89 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 2.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.33 35.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.728 ' HB2' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -67.08 152.63 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 35' ' ' ILE . 24.6 tp -91.47 110.03 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.598 ' NH2' HG12 ' A' ' 112' ' ' VAL . 6.4 ttp180 -104.32 101.75 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 107' ' ' ILE . 72.2 mt -88.72 108.84 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -100.43 125.26 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 48' ' ' ILE . 9.1 m-85 -82.64 90.34 6.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.7 m -76.98 -29.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -136.26 -177.32 4.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.91 -173.24 39.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -75.02 -14.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.65 7.44 42.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -44.13 114.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.24 4.33 25.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.16 165.95 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.08 142.13 15.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.82 172.95 10.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -148.56 140.18 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' OH ' HD11 ' A' ' 46' ' ' ILE . 73.7 m-85 -143.32 145.54 32.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.31 164.58 58.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.15 13.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.27 14.23 42.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -112.29 105.59 13.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.043 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -62.26 122.5 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -105.07 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -85.34 107.8 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG23 HD12 ' A' ' 60' ' ' ILE . 24.0 t -98.89 124.96 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.49 -153.79 6.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -103.0 -38.99 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 55' ' ' THR . 13.6 pt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' OH ' ' A' ' 29' ' ' TYR . 45.4 mt -135.99 134.92 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.93 113.92 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 mt -101.92 104.39 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 61.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.3 t0 -90.05 -77.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 162.4 -59.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.49 -15.9 19.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.02 158.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.26 169.55 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HG12 ' A' ' 40' ' ' ILE . 21.7 p -46.61 -62.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.9 t-160 -65.41 -66.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -148.49 172.49 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -134.5 132.93 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD12 ' A' ' 69' ' ' ILE . 8.4 mt -106.49 133.21 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -115.66 162.2 17.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.2 t0 -121.43 94.53 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -141.76 34.39 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 62' ' ' SER . 15.6 m120 -142.71 164.42 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.42 136.26 49.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -137.47 149.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.543 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -119.48 147.58 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -139.3 128.99 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 8.0 t0 -86.56 104.91 16.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -72.07 58.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.82 46.19 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.612 HG21 HD23 ' A' ' 58' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 84' ' ' ALA . 20.9 mt -120.61 137.25 54.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' CD2' HD21 ' A' ' 85' ' ' LEU . 12.4 tp -121.5 110.6 16.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 60.07 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -144.95 60.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -177.61 143.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.786 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.71 122.68 29.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 80' ' ' LEU . 87.5 mt -64.35 166.75 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.72 147.3 45.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -75.04 -36.03 2.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.57 15.0 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -140.83 138.03 33.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.87 126.16 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.76 164.71 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 8.6 p30 -94.94 112.73 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.641 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -47.12 156.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.96 158.7 24.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 113.55 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.27 17.77 19.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' HD11 ' A' ' 80' ' ' LEU . 6.3 m-20 -88.67 121.12 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.2 t -92.51 122.82 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mt -103.55 102.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 104.63 16.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 105' ' ' THR . 1.0 OUTLIER -126.6 161.17 28.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.53 -139.86 28.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -91.42 -64.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -131.94 41.41 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 2.7 m -108.1 123.57 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.727 ' HB2' HG23 ' A' ' 18' ' ' VAL . 31.3 m -128.24 136.72 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 15' ' ' LEU . 41.4 mt -122.84 135.68 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.5 tp -101.79 140.89 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.641 HG21 HD22 ' A' ' 93' ' ' LEU . 75.4 t -106.29 111.77 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.467 ' ND2' HD11 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -121.19 125.03 46.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -84.4 110.21 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 12' ' ' SER . 31.0 m . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 2.6 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.72 32.85 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -64.48 146.3 54.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -92.06 110.94 22.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.9 ttt180 -109.99 113.52 26.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 46' ' ' ILE . 78.3 mt -93.88 109.54 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 76.1 t -98.45 129.9 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 10.3 m-85 -88.57 83.79 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.9 m -70.77 -32.18 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -135.72 -178.32 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.57 -171.67 27.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.4 14.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -100.18 11.14 40.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 51.0 tt0 -43.4 114.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 1.89 19.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.49 163.15 12.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.68 141.06 16.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.81 170.9 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 1.1 p30 -148.78 148.85 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 45' ' ' GLU . 65.6 m-85 -146.61 179.34 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 165.39 14.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.96 130.91 13.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 12.65 55.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -107.51 115.97 31.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -72.1 125.05 26.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.8 mp -109.26 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.15 104.09 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 25.9 t -93.96 123.2 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.06 -155.29 6.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -102.15 -36.55 8.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.743 HG12 HG22 ' A' ' 55' ' ' THR . 29.3 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.58 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.514 ' CD1' HD12 ' A' ' 15' ' ' LEU . 86.7 mt -141.15 139.81 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.34 143.17 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 53' ' ' ILE . 13.3 mt -132.19 132.28 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -99.9 65.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.9 t70 -108.37 -9.86 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.6 -54.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.25 -30.28 5.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -86.05 168.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.554 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.3 -178.91 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.743 HG22 HG12 ' A' ' 40' ' ' ILE . 41.9 p -77.56 113.94 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 70.81 29.49 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.3 t60 -39.23 -50.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.62 167.33 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 72' ' ' LEU . 10.8 ptt180 -130.62 142.2 50.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.419 HG12 HD12 ' A' ' 69' ' ' ILE . 83.9 mt -107.72 131.62 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 167.4 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.3 t -127.64 138.53 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' ASN . 7.3 t70 -145.39 161.19 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.02 54.32 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.35 37.91 8.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.9 m120 -144.77 168.98 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 85.7 m95 -113.28 139.78 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.87 158.67 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -125.46 147.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.7 127.43 19.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.088 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -84.25 109.68 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -69.98 59.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.96 51.19 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 18.1 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HD12 ' A' ' 85' ' ' LEU . 24.1 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 84' ' ' ALA . 40.9 mt -116.02 143.34 45.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 97' ' ' ASP . 14.0 tp -127.26 103.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 67.93 -67.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 36.6 t -164.36 46.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -157.47 135.69 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.83 123.6 28.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 78' ' ' THR . 34.5 mt -69.07 173.51 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.15 152.12 77.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.23 2.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.9 20.89 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.2 m -144.34 145.28 31.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -126.44 126.94 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.79 149.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -90.89 116.46 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 109' ' ' VAL . 55.2 mt -50.4 178.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.5 149.77 16.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.1 t70 -63.85 108.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.589 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 109.28 12.06 20.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 80' ' ' LEU . 9.6 m-20 -87.48 121.39 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.82 124.36 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 80' ' ' LEU . 28.8 mt -104.69 106.24 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.34 105.72 17.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.46 170.56 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.63 -124.88 22.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -109.03 -57.99 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -136.89 40.89 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -106.91 120.01 40.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.797 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.8 m -120.79 133.73 55.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.61 127.6 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.629 HD22 ' ND2' ' A' ' 110' ' ' ASN . 1.6 tt -96.42 137.58 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.916 HG21 HD22 ' A' ' 93' ' ' LEU . 54.1 t -98.57 116.07 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.629 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -123.99 135.24 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.7 m-85 -98.27 113.33 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' PRO . 5.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.09 26.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -57.59 158.37 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.651 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -103.73 110.83 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -111.32 107.96 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 13' ' ' LEU . 68.9 mt -91.17 109.3 20.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.06 126.28 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 49.6 m-85 -84.28 88.04 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.7 m -71.83 -31.53 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 18.5 mttt -136.84 -170.93 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 88.59 -173.0 41.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.5 Cg_endo -74.97 -16.48 20.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -106.36 18.86 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 35.7 tt0 -53.22 117.07 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.52 -2.48 24.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.58 157.73 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.33 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 46' ' ' ILE . 1.6 mt -130.57 174.23 10.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -149.03 146.4 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' A' ' 46' ' ' ILE . 77.7 m-85 -143.93 175.21 10.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -93.84 163.35 24.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.04 127.07 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.79 38.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -111.79 108.06 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 0.784 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.4 m -61.55 128.48 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.651 HD13 HD12 ' A' ' 13' ' ' LEU . 3.3 mt -113.96 94.73 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -77.93 108.73 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.487 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 79.3 t -96.53 120.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.35 -148.15 5.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt-85 -106.72 -25.89 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' A' ' 29' ' ' TYR . 40.8 mt -131.25 143.13 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -137.61 156.15 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.9 mt -132.68 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 72.13 9.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.849 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -145.84 118.97 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.8 -29.44 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' ' OD2' ' A' ' 50' ' ' ASP . . . -61.26 -23.11 61.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 50' ' ' ASP . 7.6 mt -106.37 139.25 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.5 172.15 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -53.01 -48.37 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.21 58.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -56.54 -67.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.3 OUTLIER -147.5 173.1 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' A' ' 70' ' ' GLN . 15.3 ttt-85 -132.54 137.06 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.09 134.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -145.86 170.84 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.1 t -127.04 141.27 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -147.74 155.75 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.24 63.15 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.5 46.51 2.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -155.3 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 90.1 m95 -112.01 141.74 45.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.34 147.82 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -111.69 144.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.52 ' NE2' HD12 ' A' ' 72' ' ' LEU . 4.2 tt0 -135.47 120.29 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.25 107.2 18.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.69 58.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 33.66 44.37 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.6 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.516 HG21 ' CD2' ' A' ' 58' ' ' LEU . 86.1 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 84' ' ' ALA . 16.0 mt -95.78 146.28 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.3 tp -127.2 104.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.3 m-80 67.33 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 28.9 p -163.8 59.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.78 136.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.554 ' CA ' HD23 ' A' ' 79' ' ' LEU . . . -79.57 117.22 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 13.9 mt -57.95 179.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -131.59 140.87 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -26.82 10.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.2 32.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.5 m -157.8 152.28 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.0 p -122.17 125.6 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -103.67 159.0 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.58 109.78 21.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 109' ' ' VAL . 46.5 mt -48.37 165.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.97 23.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 3.2 t0 -64.44 116.01 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.05 20.03 22.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -90.58 125.17 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.11 119.49 46.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.68 112.29 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -97.76 105.09 17.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -126.23 152.26 46.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.95 -135.3 14.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -100.41 -64.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -130.26 50.17 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 48' ' ' ILE . 1.7 m -121.54 123.85 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.3 m -125.39 139.36 53.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.421 HG21 HD22 ' A' ' 15' ' ' LEU . 46.4 mt -122.29 139.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.3 tp -109.1 139.84 43.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 108' ' ' LEU . 67.0 t -104.54 123.57 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.42 129.33 44.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.1 m-85 -91.84 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.1 23.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.646 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -56.73 154.6 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 67' ' ' TRP . 16.2 tp -90.93 110.14 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -108.89 101.79 10.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 38.4 mt -90.26 120.45 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.98 124.86 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 42.2 m-85 -84.93 94.44 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -80.95 -24.84 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -134.78 -171.87 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 80.15 -173.47 54.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.95 -23.13 14.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -87.05 -2.93 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -36.13 116.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.12 -3.38 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.02 151.69 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -148.92 157.03 43.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -137.84 174.54 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -149.16 135.64 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.16 145.24 39.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -70.76 165.46 46.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 134.58 18.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.4 14.16 54.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.0 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' ILE . 87.0 m -68.25 130.02 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.654 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -115.32 100.59 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 100.96 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 8.8 t -90.46 123.96 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.19 -160.28 9.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -29.97 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.524 HG23 HG22 ' A' ' 55' ' ' THR . 2.7 pt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.697 HG12 HD13 ' A' ' 27' ' ' LEU . 23.9 mt -115.5 136.89 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.1 140.4 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.473 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.1 mt -129.75 113.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -75.67 70.6 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.8 t0 -109.01 -81.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 161.54 -57.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.52 -19.26 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB ' ' A' ' 48' ' ' ILE . 11.5 mt -92.89 142.68 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -113.59 156.99 22.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.524 HG22 HG23 ' A' ' 40' ' ' ILE . 75.2 p -37.4 -57.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 69.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.641 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 2.9 t-160 -69.25 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.73 169.88 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 12.3 ptt180 -130.21 151.16 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.495 HG21 ' CD2' ' A' ' 13' ' ' LEU . 46.0 mt -118.71 141.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.19 161.72 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 1.2 t -123.35 144.15 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.05 144.91 27.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.95 52.3 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.07 44.38 25.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 m-20 -149.41 165.47 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.5 m95 -112.05 139.62 47.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.29 151.24 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 tt -121.59 146.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.03 124.0 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.4 t70 -84.68 106.76 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -71.79 59.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.78 54.43 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.641 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 95.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 84' ' ' ALA . 39.2 mt -116.3 142.02 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 82' ' ' SER . 15.0 tp -127.18 105.19 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 69.5 m-80 64.72 -72.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -158.52 64.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.68 136.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.82 120.66 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.14 177.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.82 75.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.98 -36.69 2.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 31.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -152.65 143.46 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.5 p -127.84 129.49 47.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 t -111.0 163.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -97.47 113.82 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.605 HD22 HG21 ' A' ' 109' ' ' VAL . 51.5 mt -47.63 152.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 152.87 23.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t0 -68.14 120.95 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 94.61 17.91 37.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.54 119.12 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.9 t -88.04 125.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.92 100.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.37 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.2 pt? -126.01 160.34 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 -134.84 18.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' A' ' 51' ' ' ALA . 29.9 mt-10 -95.92 -68.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.5 m-85 -129.19 45.33 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 1.7 m -112.64 125.8 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.578 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.7 m -128.25 139.11 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.943 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.563 ' CD1' HD21 ' A' ' 101' ' ' LEU . 11.6 mt -125.37 127.25 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' ND2' ' A' ' 110' ' ' ASN . 2.0 tt -95.88 133.51 39.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 71.5 t -97.57 116.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.626 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -123.99 125.33 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 10.2 m-85 -85.8 113.92 22.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.646 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 17.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 31' ' ' PRO . 52.5 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.58 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.641 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.6 151.51 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -90.49 110.4 21.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -105.25 108.72 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 107' ' ' ILE . 73.7 mt -92.93 110.79 22.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -101.26 124.99 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 8.2 m-85 -85.26 88.17 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.723 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.8 m -75.47 -30.35 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -138.51 171.0 15.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.96 -169.06 19.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.83 14.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.34 4.85 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.66 115.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 7.06 32.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.74 164.23 11.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.48 132.54 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.78 170.78 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -148.69 144.85 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' OH ' ' CG1' ' A' ' 46' ' ' ILE . 74.6 m-85 -146.75 147.83 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -69.49 160.67 78.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.0 132.88 15.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.96 7.75 56.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -106.18 119.15 38.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.7 m -73.46 119.36 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.756 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.3 mt -104.66 94.84 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 105.12 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 58' ' ' LEU . 10.4 t -90.27 116.7 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.53 -157.58 7.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -103.62 -37.31 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.756 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' OH ' ' A' ' 29' ' ' TYR . 96.6 mt -141.4 138.97 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.04 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.901 ' HB ' HD13 ' A' ' 53' ' ' ILE . 11.4 mt -128.58 125.19 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -95.71 72.88 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.639 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -120.47 -0.53 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.22 -63.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.65 -27.32 0.31 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.901 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -89.35 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.57 173.44 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -49.17 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 62.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.555 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 3.4 t-160 -59.62 -66.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 ' OG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -150.86 172.2 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -135.04 140.66 45.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 46.3 mt -113.56 137.97 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -149.77 166.74 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.6 t -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -147.6 155.62 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.85 60.53 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 40.49 44.23 3.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -152.78 168.27 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 94.1 m95 -111.09 144.3 40.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.61 154.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HD21 ' A' ' 93' ' ' LEU . 2.7 tt -122.65 146.92 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -138.3 126.81 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 3.6 t70 -85.84 105.15 16.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -70.62 59.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 36.28 36.87 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.555 ' OG ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.573 ' OG1' HD23 ' A' ' 58' ' ' LEU . 12.0 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 84' ' ' ALA . 36.4 mt -123.23 141.85 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 8.8 tp -127.41 110.2 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER 66.83 -69.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -166.6 50.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -164.68 136.98 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.673 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -77.56 120.76 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 80' ' ' LEU . 58.8 mt -60.93 173.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.6 147.24 55.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.02 -37.9 1.81 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.451 1.764 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.29 23.56 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.5 m -144.79 149.38 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.7 p -125.76 124.18 40.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.6 t -106.6 147.52 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -88.7 114.87 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 HD21 ' HB ' ' A' ' 69' ' ' ILE . 76.3 mt -52.37 168.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.0 155.47 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.6 107.99 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.15 8.93 21.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.7 m-20 -81.73 120.87 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.27 112.51 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 80' ' ' LEU . 34.8 mt -93.01 105.94 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -97.34 104.76 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.21 168.68 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.21 -138.36 32.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -96.09 -56.25 2.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -137.83 38.79 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.3 m -103.63 123.2 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.723 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -126.4 130.23 50.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.476 HG21 HD22 ' A' ' 15' ' ' LEU . 25.0 mt -119.96 130.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -98.29 139.38 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.724 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.3 t -101.95 113.82 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 122.48 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -83.66 112.4 20.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.641 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 19.4 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 36.9 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.36 36.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -70.39 144.46 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -91.62 110.63 21.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -115.96 107.92 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 30.5 mt -89.45 122.21 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.21 125.07 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 57.9 m-85 -84.98 93.38 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 106' ' ' SER . 3.7 m -77.57 -29.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 10.9 mttt -134.86 -175.54 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 -169.42 40.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.97 -28.77 8.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.544 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.02 -0.67 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.93 114.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 -7.37 28.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.05 153.04 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -152.59 155.13 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -135.5 171.56 14.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -147.56 136.83 22.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -135.94 170.98 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -94.6 166.67 14.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 126.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.768 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.06 13.23 29.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -112.53 112.68 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 93.5 m -71.09 113.74 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 46' ' ' ILE . 2.6 mp -95.56 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.06 107.21 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.614 ' CG2' HD12 ' A' ' 60' ' ' ILE . 19.0 t -94.67 114.87 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.64 -160.02 8.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -101.93 -56.5 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.725 HG12 HG22 ' A' ' 55' ' ' THR . 6.6 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.587 HG12 HD13 ' A' ' 27' ' ' LEU . 44.3 mt -113.51 140.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.33 132.33 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 17' ' ' PHE . 5.5 mt -129.86 119.56 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -91.92 72.73 5.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 25.8 t0 -111.57 9.93 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 73.36 -59.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.84 -22.38 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.487 HD13 ' HB ' ' A' ' 48' ' ' ILE . 48.9 mt -96.59 139.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 163.6 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.725 HG22 HG12 ' A' ' 40' ' ' ILE . 22.5 p -42.09 -65.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.98 68.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.644 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.7 t-160 -67.53 -63.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.43 170.5 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -137.25 139.02 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.614 HD12 ' CG2' ' A' ' 37' ' ' VAL . 12.5 mt -102.15 132.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 166.64 24.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.27 153.56 37.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -120.69 109.1 14.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.68 -83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.4 24.14 3.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -128.84 159.81 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 89.8 m95 -113.61 138.76 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.64 158.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -123.53 142.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.95 124.57 19.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 30.1 t0 -84.83 106.31 16.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.56 60.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.65 56.96 0.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.644 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 6.0 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.652 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.5 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.9 mt -115.95 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' SER . 36.3 tp -126.33 109.57 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 61.4 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.6 m -148.53 60.65 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -175.61 142.06 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.761 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -85.87 124.19 32.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.652 HD12 ' CG2' ' A' ' 78' ' ' THR . 37.4 mt -67.04 172.38 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.64 152.43 77.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -74.98 -35.91 2.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -93.77 27.3 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -146.76 146.2 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 95.1 p -126.4 128.18 46.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -110.63 157.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -96.82 124.03 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 93' ' ' LEU . 24.2 mt -63.81 164.95 9.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 109' ' ' VAL . . . -146.26 -168.1 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.9 116.85 32.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.21 22.08 30.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.19 121.86 28.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.87 123.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.404 HG12 HD13 ' A' ' 80' ' ' LEU . 18.7 mt -106.71 108.14 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -97.84 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 107' ' ' ILE . 0.8 OUTLIER -125.19 171.03 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.47 -127.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -102.89 -54.27 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -143.17 30.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -92.1 117.69 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.0 m -117.27 128.37 55.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.503 ' CD1' HD21 ' A' ' 101' ' ' LEU . 34.1 mt -114.84 142.95 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.7 tp -109.24 142.33 40.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.8 t -104.96 113.81 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 128.11 53.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -93.35 106.86 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.42 113.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.5 98.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.06 -141.41 4.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -122.97 -61.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.34 136.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.0 114.82 4.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -86.69 139.91 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 m -107.52 -8.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 8.3 m -95.52 119.16 65.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 141.99 27.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -63.27 147.75 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 35' ' ' ILE . 42.9 tp -91.8 114.76 27.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.9 ttt180 -113.55 103.38 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 107' ' ' ILE . 69.2 mt -87.24 111.25 20.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.7 124.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 12.0 m-85 -82.21 88.83 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.0 m -74.78 -32.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.63 -178.39 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.27 -172.28 31.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -15.4 20.61 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.54 3.37 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -39.33 115.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.29 1.75 24.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.51 162.94 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.85 141.35 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -125.23 169.8 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -148.62 134.58 19.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.09 162.9 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -84.12 163.76 46.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.96 130.38 13.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.58 19.29 38.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.12 107.35 15.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 m -60.94 129.58 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.0 mt -116.53 96.18 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.64 106.25 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.459 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 47.8 t -93.95 119.11 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.14 -157.1 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 4.5 ttt180 -101.12 -43.29 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 42' ' ' ARG . 16.8 pt -97.26 139.43 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.56 -35.84 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' HB2' HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -42.14 115.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.47 65.47 2.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -168.0 135.82 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 0.769 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.721 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -69.78 -36.75 76.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.89 138.53 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -131.51 127.94 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.79 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.2 mt -120.37 129.32 75.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -94.69 65.03 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' ILE . 5.4 t0 -108.95 4.57 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 72.11 -60.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.76 -24.69 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' A' ' 48' ' ' ILE . 7.8 mt -92.28 139.54 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.05 159.16 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.516 HG22 HG12 ' A' ' 40' ' ' ILE . 65.7 p -38.7 -58.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 71.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 2.9 t-160 -71.16 -65.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -153.18 170.33 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB3' HD21 ' A' ' 72' ' ' LEU . 9.1 ptt180 -132.31 143.22 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.468 HG21 HD21 ' A' ' 13' ' ' LEU . 50.1 mt -106.77 135.18 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -148.94 163.82 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.349 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.51 163.49 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -127.03 95.2 4.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.12 -81.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.24 42.16 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -153.69 168.82 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.651 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.3 m95 -112.4 141.52 46.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.3 m -139.56 154.94 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -124.0 145.52 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -139.74 125.28 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' GLY . 37.9 t0 -84.3 106.26 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -69.97 60.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.53 50.27 1.0 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 79.6 p -58.93 161.51 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 70.87 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 162.9 -54.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.05 147.53 9.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.449 HG21 ' CD2' ' A' ' 58' ' ' LEU . 25.8 m -102.3 145.18 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.776 HD23 ' HA ' ' A' ' 84' ' ' ALA . 34.7 mt -116.98 143.05 46.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' A' ' 85' ' ' LEU . 24.0 tp -127.08 104.92 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 66.0 m-80 66.64 -69.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.4 t -162.3 47.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -158.67 136.3 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.776 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.78 122.82 28.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 80' ' ' LEU . 29.9 mt -70.24 170.85 10.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.68 154.52 81.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.12 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.553 1.818 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -89.57 19.39 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 m -140.51 141.39 35.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 82.8 p -122.19 131.49 53.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -111.66 157.22 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -98.33 126.01 43.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 109' ' ' VAL . 82.6 mt -64.84 161.77 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -139.97 -167.53 11.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.67 104.65 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.17 27.13 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.22 124.62 34.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 t -94.61 127.06 46.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mt -108.68 106.99 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -99.13 105.57 17.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.57 167.6 14.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.7 -131.57 26.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -100.75 -63.49 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -133.27 48.94 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.2 m -114.67 121.29 42.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.724 ' HB2' HG23 ' A' ' 18' ' ' VAL . 28.8 m -122.9 135.2 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.475 HG21 HD22 ' A' ' 15' ' ' LEU . 19.3 mt -122.73 132.13 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.7 tp -100.17 134.26 43.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 75.6 t -98.55 120.74 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.56 130.63 49.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.448 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 14.3 m-85 -91.83 106.6 18.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 79.5 t -92.88 113.12 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.3 t -119.6 107.58 13.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 109.8 174.0 20.77 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 146.87 33.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.0 p -43.67 127.54 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.1 p -66.84 152.68 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.66 95.57 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -174.86 130.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.8 67.44 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -108.39 161.6 14.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -133.86 140.6 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.6 -103.42 0.17 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 tpt 66.64 92.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -86.95 1.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m -134.94 115.41 12.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.06 29.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -64.07 148.99 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD22 ' CE3' ' A' ' 67' ' ' TRP . 27.2 tp -91.88 113.21 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -112.24 102.75 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 ' CG2' ' A' ' 107' ' ' ILE . 80.2 mt -89.52 109.5 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.36 132.27 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.54 87.09 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.756 HG11 HD12 ' A' ' 108' ' ' LEU . 4.2 m -71.25 -34.09 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 14.3 mttt -135.72 -177.26 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 95.27 -171.95 30.05 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.63 18.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -104.41 15.65 27.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.12 115.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.75 0.05 23.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.31 165.13 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.21 151.98 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -131.62 172.22 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -148.11 135.93 20.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD2' HG12 ' A' ' 35' ' ' ILE . 97.4 m-85 -139.71 153.66 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.31 164.27 60.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.585 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.5 Cg_endo -74.99 130.32 13.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.31 6.66 56.57 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.99 106.21 16.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 60' ' ' ILE . 25.1 m -61.7 129.65 42.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.638 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -114.54 94.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 118.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 32.8 t -103.54 118.32 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.01 -155.29 6.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -109.32 -24.58 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.54 HD12 ' O ' ' A' ' 42' ' ' ARG . 4.9 pt -109.67 131.69 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 47' ' ' ALA . 5.6 m -61.02 -36.82 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -75.78 99.58 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.59 -57.88 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.72 156.18 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -64.44 -61.34 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.7 mt -93.4 137.43 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -132.31 127.95 36.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.84 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.4 mt -119.67 131.81 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.1 65.71 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.3 t0 -109.76 -6.85 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.44 -51.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.81 -26.14 24.81 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.84 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.7 mt -92.37 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.2 160.05 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 55' ' ' THR . 73.8 p -40.59 -60.99 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 71.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 4.3 t60 -75.52 -65.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.555 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -153.87 170.34 21.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -136.7 144.05 43.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 34' ' ' THR . 13.0 mt -108.01 140.83 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.31 167.88 24.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.78 143.96 49.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -144.22 154.62 43.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.56 61.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 42.4 42.67 4.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -149.72 168.56 23.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.38 147.14 33.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.33 147.98 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.0 142.09 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -142.11 121.56 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -90.91 114.53 27.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.57 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.25 56.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.2 50.37 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -41.12 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.453 ' N ' ' OG ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -174.76 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -69.46 -49.51 54.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.67 132.87 4.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.725 ' HB ' HD12 ' A' ' 85' ' ' LEU . 6.4 m -93.21 135.49 34.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 84' ' ' ALA . 12.5 mt -111.68 148.47 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 97' ' ' ASP . 46.9 tp -126.57 112.3 15.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 60.98 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 20.2 m -148.65 64.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t30 179.56 147.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.9 133.98 33.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.725 HD12 ' HB ' ' A' ' 78' ' ' THR . 48.5 mt -71.94 -175.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.45 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -143.93 140.04 16.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -24.44 12.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -100.9 29.24 4.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.9 m -156.99 152.63 26.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.8 p -125.41 127.78 47.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.5 t -109.21 157.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -95.93 122.65 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 109' ' ' VAL . 30.9 mt -58.95 157.84 9.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.32 156.51 26.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 123.22 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 88.64 23.5 36.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.552 ' HB3' HD11 ' A' ' 80' ' ' LEU . 7.2 m-20 -94.94 122.53 37.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 t -90.49 130.39 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.412 HD11 ' CG2' ' A' ' 109' ' ' VAL . 22.9 mt -109.4 109.08 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -97.6 105.71 17.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HB3' HG23 ' A' ' 78' ' ' THR . 1.2 pt? -125.29 170.16 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.47 -109.57 2.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -119.78 -68.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -114.95 -28.33 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 2.1 m -38.32 131.08 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.756 ' HB2' HG23 ' A' ' 18' ' ' VAL . 41.7 m -134.79 134.47 40.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.423 ' CG2' HD22 ' A' ' 15' ' ' LEU . 33.4 mt -119.84 134.09 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 HG11 ' A' ' 18' ' ' VAL . 1.2 tt -102.62 138.43 39.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.744 HG21 HD22 ' A' ' 93' ' ' LEU . 75.0 t -102.24 119.03 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.464 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -128.84 128.46 43.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -91.1 113.94 26.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.84 116.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.8 t -88.04 159.29 18.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.67 154.95 45.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.155 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 66.52 6.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.5 p -63.79 -55.99 18.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.046 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 t -107.5 129.91 54.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.036 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -74.16 144.53 44.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m 48.95 86.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.042 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 93.77 0.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.14 -62.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.35 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 -84.74 1.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.26 134.48 43.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 m -68.92 -17.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 31' ' ' PRO . 22.2 m -81.45 120.33 77.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.72 29.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.9 m -66.02 147.75 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 60' ' ' ILE . 48.3 tp -91.79 114.98 27.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 4.8 ttt180 -113.82 99.79 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 60' ' ' ILE . 77.8 mt -82.91 111.26 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -99.71 124.98 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 15.2 m-85 -83.68 88.49 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.765 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -73.87 -33.25 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.6 -170.23 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.31 -170.52 46.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.95 -22.27 15.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -93.19 3.43 55.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.02 114.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.66 1.46 29.05 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.94 159.67 15.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.98 132.78 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.4 mt -116.83 170.24 8.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -148.46 133.81 18.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -134.99 159.46 41.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 164.28 55.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.498 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 130.28 13.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.71 16.84 43.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.24 110.8 20.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.2 m -63.96 125.91 25.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.551 HD13 HD23 ' A' ' 13' ' ' LEU . 3.3 mt -112.35 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -76.58 111.96 12.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 37.8 t -100.48 110.85 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.73 -151.95 7.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt180 -105.88 -32.39 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 55' ' ' THR . 23.8 pt -101.47 141.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.31 -35.74 64.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.71 112.74 10.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.21 -47.53 1.03 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 55' ' ' THR . 1.6 m-80 -107.84 149.53 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -65.66 -63.13 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -93.99 137.32 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -132.67 127.31 34.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.83 ' HB ' HD13 ' A' ' 53' ' ' ILE . 5.9 mt -118.6 123.54 71.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -91.98 62.74 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.1 t70 -105.7 -8.14 18.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.89 -52.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.99 -17.9 10.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.83 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.3 mt -100.69 138.19 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -100.01 159.92 14.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.486 HG22 HG23 ' A' ' 40' ' ' ILE . 16.4 p -44.27 -35.3 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.374 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -132.51 68.06 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.634 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.5 t60 -67.26 -66.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.629 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -150.06 170.81 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.1 ptt180 -133.79 138.39 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 13' ' ' LEU . 74.8 mt -102.48 138.41 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.23 165.42 31.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.54 ' HB2' ' CE3' ' A' ' 67' ' ' TRP . 29.4 t -125.89 147.56 49.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 66' ' ' ASN . 30.5 m-20 -156.89 160.65 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.57 53.98 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.5 37.69 6.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.8 m120 -148.07 165.19 31.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.605 ' CE3' HD22 ' A' ' 13' ' ' LEU . 93.8 m95 -106.88 148.5 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -144.15 151.05 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.0 tt -117.83 145.84 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -140.91 123.17 15.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 12.3 t0 -84.84 106.94 16.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -69.91 61.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 37.08 45.75 1.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.634 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 96.1 p -63.12 172.16 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 0.725 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.1 m -75.58 150.54 38.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 69.3 -63.92 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 133.86 153.0 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.5 ' CG2' HD12 ' A' ' 85' ' ' LEU . 60.7 m -95.91 159.48 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 84' ' ' ALA . 30.5 mt -134.03 130.75 37.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.506 HD12 ' OD1' ' A' ' 97' ' ' ASP . 49.9 tp -117.53 113.21 21.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 62.23 -81.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -151.53 57.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -173.57 141.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.99 124.17 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' CG2' ' A' ' 78' ' ' THR . 82.9 mt -65.79 176.55 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.98 148.69 65.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.0 -35.53 3.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -95.05 23.81 5.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.9 m -153.13 140.79 19.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.12 129.7 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.2 158.64 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.67 131.27 34.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 109' ' ' VAL . 53.5 mt -69.08 156.81 38.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.77 149.07 20.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.94 125.04 25.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 0.801 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.95 3.03 58.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -73.61 153.62 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.32 109.89 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.4 mt -93.74 110.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.53 105.82 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.27 164.14 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.93 -134.63 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.88 -66.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -128.67 49.87 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.8 m -117.39 122.39 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.765 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -123.33 133.67 54.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.56 ' CD1' HD21 ' A' ' 101' ' ' LEU . 33.7 mt -120.52 135.51 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 109' ' ' VAL . 5.3 tp -102.91 144.05 31.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.659 ' H ' HD12 ' A' ' 108' ' ' LEU . 73.2 t -104.35 121.66 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.79 127.45 42.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.537 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.6 m-85 -93.68 106.88 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 37.0 t -95.3 126.94 47.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.7 t -114.86 -45.43 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -130.67 -170.68 12.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.443 1.09 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.19 41.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.9 t -154.16 164.73 38.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.0 t 51.31 88.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.29 80.9 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.979 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t 61.82 155.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.16 172.04 45.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 m 61.2 158.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.26 161.89 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.87 86.01 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.74 98.29 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -86.42 170.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.407 HG22 ' HB3' ' A' ' 31' ' ' PRO . 47.2 m 63.76 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.42 36.92 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.04 147.75 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 HD13 ' A' ' 35' ' ' ILE . 46.7 tp -91.74 120.49 32.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.595 HH21 HG22 ' A' ' 112' ' ' VAL . 9.7 ttm180 -118.89 100.82 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 72.8 mt -86.11 109.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.83 127.0 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.01 90.26 7.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.736 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -76.11 -30.63 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -136.06 -176.42 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.44 -172.25 39.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -17.16 19.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.49 4.22 48.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.33 115.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.52 -4.39 26.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.12 158.75 15.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -157.13 136.62 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mt -121.56 168.72 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 29' ' ' TYR . 44.0 t0 -146.07 141.12 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 98.2 m-85 -141.78 163.06 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 162.33 56.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.01 128.13 11.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.67 9.35 46.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.4 106.07 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.736 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.8 m -61.23 120.82 11.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.671 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -106.8 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLU . 24.5 mtp180 -75.94 112.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.5 t -98.29 121.0 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.66 -154.98 6.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -107.99 -32.07 7.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 55' ' ' THR . 42.2 pt -97.69 140.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' HD2' ' A' ' 42' ' ' ARG . 15.6 m -63.09 -38.57 82.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' HD2' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -73.35 133.21 43.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.93 -65.02 1.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-80 -89.93 147.74 23.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ARG . 33.3 mm-40 -66.73 -63.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -91.95 131.75 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.18 132.17 51.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 105' ' ' THR . 7.8 mt -114.82 137.19 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.74 53.07 1.0 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 14.2 t0 -103.83 -17.59 14.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.58 -51.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.01 -24.89 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.769 HG12 HD12 ' A' ' 101' ' ' LEU . 6.2 mt -97.16 145.05 9.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.84 156.83 17.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.829 HG23 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -39.75 -53.78 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 70.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -73.35 -64.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.58 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -152.44 171.72 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.472 ' HB3' HD21 ' A' ' 72' ' ' LEU . 7.6 ptt180 -135.58 143.19 45.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.481 HG21 HD21 ' A' ' 13' ' ' LEU . 87.3 mt -104.73 138.66 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 165.18 34.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.4 t -126.66 141.66 51.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.5 161.55 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.01 52.78 2.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.46 44.79 22.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -153.13 168.75 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 31' ' ' PRO . 96.8 m95 -109.09 144.61 36.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 107.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.21 152.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -122.32 143.72 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.5 tt0 -142.29 127.23 18.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.95 113.33 21.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -74.83 57.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.31 65.93 0.39 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -97.63 165.32 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 77' ' ' GLY . 68.2 m -61.03 166.4 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 60.62 -83.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 141.41 154.64 6.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 58' ' ' LEU . 5.5 m -95.12 140.38 30.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.676 HD23 ' HA ' ' A' ' 84' ' ' ALA . 44.4 mt -117.73 141.19 48.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 97' ' ' ASP . 21.1 tp -126.93 105.46 8.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.421 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 59.5 m-80 67.31 -68.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -164.61 54.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -167.67 135.29 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.676 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.3 120.15 23.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 mt -66.01 171.87 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.4 152.85 81.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.23 2.71 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.22 24.25 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 62.8 m -144.63 142.55 30.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.411 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 80.4 p -126.34 130.71 51.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.0 t -117.42 152.37 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -89.58 121.02 31.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 109' ' ' VAL . 63.3 mt -55.23 160.81 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.15 149.57 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -63.76 114.48 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.42 13.63 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.5 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.9 m-20 -84.11 125.48 32.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 t -95.65 125.21 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.4 mt -107.78 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -99.6 106.1 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.769 HD12 HG12 ' A' ' 53' ' ' ILE . 1.2 pt? -125.12 163.69 21.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.66 -126.13 10.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.53 -68.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -128.71 53.15 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.406 HG21 HD13 ' A' ' 48' ' ' ILE . 2.6 m -120.68 121.16 37.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 18.1 m -122.36 135.24 54.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.08 134.1 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.3 tp -100.59 140.2 35.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 65.9 t -105.01 119.78 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.95 131.18 53.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 11.9 m-85 -93.14 107.76 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HH21 ' A' ' 14' ' ' ARG . 23.7 t -87.77 110.26 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.44 116.24 25.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 64.0 -164.03 32.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.13 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.68 94.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.3 p -60.58 -58.43 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 p -146.17 143.49 29.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -131.23 105.15 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.984 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.3 -60.78 1.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m 58.43 157.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 p -170.2 166.51 8.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.945 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.98 145.39 15.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -179.21 156.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 9' ' ' VAL . 25.3 m 33.2 89.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.601 HG22 ' HB3' ' A' ' 31' ' ' PRO . 94.6 m 67.18 120.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.38 36.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.047 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 m -64.57 148.18 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 35' ' ' ILE . 56.6 tp -91.34 115.59 28.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 2.8 ttt180 -113.43 102.7 10.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 107' ' ' ILE . 71.9 mt -87.13 111.95 21.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.72 124.57 53.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.45 83.96 6.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.4 m -70.51 -33.04 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.0 mttm -136.77 179.13 6.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.48 -172.97 24.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -15.43 20.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -109.5 16.81 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -48.21 118.5 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.27 5.59 22.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -103.55 163.18 12.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.89 132.18 10.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -117.62 169.34 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -148.92 145.61 27.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -147.19 166.72 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 162.22 52.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 129.16 12.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.15 13.28 53.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.84 108.8 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.056 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.1 m -62.59 119.78 9.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 3.4 mt -107.1 94.72 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -76.55 114.86 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 15.1 t -103.47 129.11 55.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.444 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -148.11 -146.18 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.5 ttt180 -110.31 -41.7 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.3 pt -90.67 144.04 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.3 m -68.0 -37.55 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 120.79 21.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.15 -62.63 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.85 148.44 22.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' ARG . 67.6 mm-40 -62.32 -61.11 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.0 mt -95.45 140.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -133.14 146.1 51.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.854 ' HB ' HD13 ' A' ' 53' ' ' ILE . 27.1 mt -136.56 119.48 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -88.2 68.83 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.654 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -119.19 -3.05 10.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.72 -60.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -39.85 -28.75 0.15 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.854 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.2 mt -93.79 140.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 0.812 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -108.66 162.26 14.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 p -38.43 -64.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 70.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 3.0 t-160 -69.25 -63.73 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -155.73 171.9 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.0 ptt180 -134.88 141.36 46.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.465 HG21 HD21 ' A' ' 13' ' ' LEU . 89.8 mt -105.69 139.83 25.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.7 166.96 30.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -124.62 140.94 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.1 160.59 41.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.08 56.14 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.35 44.49 7.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.414 1.071 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -154.97 167.68 29.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.9 m95 -105.71 147.03 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.021 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.11 156.39 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 tt -126.63 144.07 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -142.21 126.27 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.4 110.58 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -74.65 57.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.99 55.97 0.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.572 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 4.2 t -50.6 -83.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.62 -62.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -83.74 -45.81 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 168.48 12.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.8 m -112.3 139.07 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' ' 84' ' ' ALA . 19.1 mt -109.7 143.64 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 97' ' ' ASP . 26.7 tp -127.25 107.44 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.8 m-80 63.79 -75.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -156.33 47.83 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -159.29 138.08 10.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -82.93 124.54 30.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 80' ' ' LEU . 30.6 mt -73.43 170.27 15.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.44 150.93 75.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.64 2.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.54 1.81 . . . . 0.0 111.043 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.52 33.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.9 m -157.4 146.65 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.8 p -119.66 130.38 55.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.4 t -112.9 149.16 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -90.75 123.44 34.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.656 HD22 HG21 ' A' ' 109' ' ' VAL . 49.5 mt -65.93 171.36 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.33 152.15 23.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 27.3 t0 -63.02 106.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 111.98 16.59 9.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.532 ' HB3' HD11 ' A' ' 80' ' ' LEU . 8.3 m-20 -88.45 120.89 30.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.74 117.88 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -97.74 109.85 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -100.23 104.86 16.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.06 171.26 10.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 65.77 -129.56 33.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -105.34 -62.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -132.89 47.94 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.649 HG21 HD13 ' A' ' 48' ' ' ILE . 1.8 m -114.89 121.74 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.811 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.9 m -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.415 ' CG2' HD22 ' A' ' 15' ' ' LEU . 14.3 mt -125.55 132.17 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.655 HD12 ' H ' ' A' ' 109' ' ' VAL . 6.0 tp -100.9 142.31 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -106.64 117.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.56 130.24 51.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 19.8 m-85 -92.82 106.33 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.5 t -78.74 106.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.1 -68.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.54 170.95 22.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.78 5.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.03 -62.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.6 p 43.66 84.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -105.17 106.6 17.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 m -162.24 158.94 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.89 166.35 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 p -104.0 -57.28 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.1 109.87 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.66 -154.33 14.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.7 130.79 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.67 167.73 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 22.3 m 61.07 123.09 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.11 34.88 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.91 149.36 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.759 HD23 HD13 ' A' ' 35' ' ' ILE . 50.8 tp -91.62 115.91 28.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' HG2' HG23 ' A' ' 16' ' ' VAL . 10.2 ttp180 -114.1 104.43 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 HG21 ' A' ' 107' ' ' ILE . 79.2 mt -90.46 108.57 19.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' HG2' ' A' ' 14' ' ' ARG . 88.3 t -99.05 124.87 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -82.22 89.3 6.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.755 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.59 -29.9 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 11.4 mttm -138.94 177.04 8.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.76 -170.2 25.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.24 4.17 48.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -39.92 114.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.85 -1.21 25.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.23 158.7 16.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.87 146.53 23.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 HD13 HG12 ' A' ' 46' ' ' ILE . 1.4 mt -130.92 172.65 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.1 145.42 28.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 46' ' ' ILE . 79.4 m-85 -146.34 157.58 43.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -78.5 162.44 65.97 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.592 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 131.36 14.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.66 15.44 40.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.37 105.44 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 60' ' ' ILE . 17.7 m -60.94 129.14 39.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.759 HD13 HD23 ' A' ' 13' ' ' LEU . 2.8 mt -114.72 103.7 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -82.29 109.71 16.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 56.3 t -96.41 118.34 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.97 -149.81 5.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 3.8 ttt180 -106.13 -22.17 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 110.246 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.504 HG12 HG22 ' A' ' 55' ' ' THR . 7.8 pt -115.72 136.76 51.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.954 HG13 ' HB3' ' A' ' 47' ' ' ALA . 3.3 m -77.46 -26.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 41' ' ' VAL . 4.1 mpt_? -31.45 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -95.71 63.49 1.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 71.8 m-20 -169.13 159.12 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.654 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.2 mm-40 -80.0 -44.99 19.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.582 HG12 HD13 ' A' ' 27' ' ' LEU . 35.2 mt -131.45 138.91 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.954 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -130.86 138.83 50.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -115.75 141.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 65.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.669 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -114.84 -10.33 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.43 -52.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.57 -20.2 5.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.845 HD13 ' HB ' ' A' ' 48' ' ' ILE . 8.0 mt -95.31 142.78 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.37 154.91 20.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.504 HG22 HG12 ' A' ' 40' ' ' ILE . 68.7 p -39.37 -47.89 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 69.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -71.61 -65.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -150.75 171.83 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HB3' HD21 ' A' ' 72' ' ' LEU . 15.6 ptt180 -133.51 140.67 47.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 13' ' ' LEU . 13.2 mt -108.06 143.41 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -153.58 170.21 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.363 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 1.2 t -128.13 156.39 42.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -161.99 157.85 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.18 51.29 4.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 49.81 43.15 38.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -150.49 167.44 27.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 13' ' ' LEU . 94.2 m95 -111.28 143.32 42.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 107.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.04 145.09 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.873 HD11 HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -122.4 148.15 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 89' ' ' THR . 2.7 tt0 -142.63 133.53 25.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.2 t70 -86.29 112.99 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.621 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -73.41 58.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.08 47.45 0.53 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 73.7 p -39.44 -90.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.95 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -170.32 -56.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -76.48 -47.6 22.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 147.01 7.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.0 m -93.94 150.57 20.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 84' ' ' ALA . 46.7 mt -124.94 140.75 52.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 97' ' ' ASP . 19.8 tp -125.1 103.93 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.7 m-80 66.94 -69.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -162.69 58.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -173.99 133.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.707 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.17 120.66 21.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.19 174.08 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.86 150.74 69.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.97 -62.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.78 -28.4 65.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 2.7 m -96.46 148.82 22.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.6 p -125.35 142.03 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.65 156.8 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.49 124.44 38.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 109' ' ' VAL . 80.6 mt -62.53 156.53 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.65 151.33 22.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.064 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -65.63 110.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.94 12.89 26.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.616 ' HB3' HD11 ' A' ' 80' ' ' LEU . 16.0 m-20 -84.82 122.16 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.4 t -91.65 124.25 44.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.94 110.21 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -99.79 105.77 17.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.622 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -125.3 166.78 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 64.58 -136.96 39.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -91.94 -76.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.267 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -122.56 55.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.667 HG21 HD13 ' A' ' 48' ' ' ILE . 4.0 m -118.56 126.21 51.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.347 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.755 ' HB2' HG23 ' A' ' 18' ' ' VAL . 17.4 m -127.55 133.12 49.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.551 HG21 HD22 ' A' ' 15' ' ' LEU . 36.6 mt -119.44 140.45 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 109' ' ' VAL . 3.9 tp -109.45 125.36 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.683 HG21 HD22 ' A' ' 93' ' ' LEU . 75.8 t -89.94 120.27 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.3 136.69 52.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.8 m-85 -99.66 106.92 18.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.86 109.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.26 148.17 35.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -83.76 164.21 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.82 3.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.3 t -174.24 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.9 t -113.47 107.65 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -167.39 148.75 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.78 . . . . 0.0 109.966 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -128.51 149.54 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.42 109.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.06 -57.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.044 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -66.72 114.13 5.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.96 114.98 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -170.85 131.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.1 m -87.13 -11.5 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.626 HG22 ' HB3' ' A' ' 31' ' ' PRO . 88.2 m -130.12 119.07 18.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 155.97 42.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -72.91 145.3 46.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.761 HD21 HG13 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -92.02 110.53 21.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG2' HG23 ' A' ' 16' ' ' VAL . 24.8 ttp180 -107.51 112.41 25.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 107' ' ' ILE . 77.9 mt -92.36 107.85 19.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG23 ' HG2' ' A' ' 14' ' ' ARG . 94.7 t -101.98 125.06 56.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 84.0 m-85 -83.29 90.28 7.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.862 HG11 HD12 ' A' ' 108' ' ' LEU . 16.0 m -74.12 -27.52 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -138.4 -174.06 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -171.05 41.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.2 Cg_endo -74.98 -23.61 13.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 1.4 mtt180 -93.2 6.47 47.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -42.72 116.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.15 -5.04 26.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.08 157.98 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.61 134.55 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.35 170.89 8.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -147.27 141.06 25.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -138.48 167.02 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -86.65 163.1 42.86 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.626 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 124.7 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.76 11.71 36.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -110.32 120.31 42.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 60' ' ' ILE . 24.9 m -74.77 132.62 41.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.72 96.73 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.43 121.23 23.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 27.4 t -109.94 120.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.27 -149.9 5.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 49' ' ' LYS . 1.1 ttt180 -102.05 -43.57 5.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 18.6 pt -90.28 144.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.25 -35.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.0 105.44 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -61.0 0.65 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -100.31 147.78 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -52.94 -65.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 58.4 mt -97.67 142.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 40' ' ' ILE . . . -153.25 119.28 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.653 ' HB ' HD13 ' A' ' 53' ' ' ILE . 1.7 mt -106.05 121.51 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 39' ' ' ARG . 12.3 mmmm -85.28 62.15 7.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 12.6 t0 -102.2 1.13 35.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.27 -59.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -44.34 -25.49 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.653 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -94.35 153.09 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -116.8 155.64 28.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 22.0 p -36.79 -57.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 73.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -75.41 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -156.04 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG2' HD11 ' A' ' 72' ' ' LEU . 13.1 ptt180 -137.0 140.32 42.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 34' ' ' THR . 11.0 mt -105.27 139.15 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 178.45 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 3.1 t -139.32 139.06 37.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.49 -153.73 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -39.0 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.7 46.26 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -153.99 166.21 33.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 81.9 m95 -112.87 146.78 38.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.2 m -142.02 152.49 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.546 HD12 ' CG1' ' A' ' 60' ' ' ILE . 2.3 tt -123.78 143.68 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.34 126.03 22.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 44.2 t0 -83.62 105.94 14.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.92 60.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.82 58.87 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 10.4 p -56.05 -177.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -61.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -90.86 -59.45 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.07 168.99 15.73 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.612 ' CG2' HD12 ' A' ' 85' ' ' LEU . 39.7 m -109.29 139.9 43.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.0 mt -113.26 140.9 47.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 82' ' ' SER . 27.6 tp -127.26 106.74 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 70.2 m-80 62.86 -76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -153.6 61.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -175.43 138.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.694 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -83.05 120.4 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 ' CG2' ' A' ' 78' ' ' THR . 46.1 mt -64.54 170.32 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.6 153.97 81.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.93 -38.3 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -91.83 34.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.7 m -155.61 145.55 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 96.2 p -124.6 126.37 45.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 t -108.18 144.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.1 116.73 24.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 109' ' ' VAL . 83.2 mt -57.84 162.92 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -149.0 153.77 25.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.8 OUTLIER -70.04 106.08 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.1 17.05 7.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 41.7 m-20 -91.75 141.75 28.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.61 119.15 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.8 mt -100.31 105.33 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -96.01 105.5 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.58 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -125.22 161.74 26.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.29 -134.02 18.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -93.51 -64.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -137.34 49.3 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.47 HG21 HD13 ' A' ' 48' ' ' ILE . 2.5 m -113.45 115.96 28.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.7 ' HB2' HG23 ' A' ' 18' ' ' VAL . 32.2 m -116.08 134.96 54.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.483 HG21 HD22 ' A' ' 15' ' ' LEU . 23.3 mt -120.6 131.37 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.862 HD12 HG11 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.56 143.9 27.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.761 HG13 HD21 ' A' ' 13' ' ' LEU . 65.1 t -109.6 113.49 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.542 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -123.01 133.35 54.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.4 m-85 -92.1 106.86 18.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.423 HG22 ' NH2' ' A' ' 14' ' ' ARG . 25.8 t -92.79 107.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -94.55 -64.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.52 177.97 39.36 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 120.72 6.18 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.436 1.756 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.08 162.03 20.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.51 160.1 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -137.65 162.23 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -81.96 161.9 22.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.07 -132.12 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -172.39 131.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -95.71 101.64 13.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.68 -99.86 2.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 ptp -53.62 162.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.7 m -113.16 178.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 31' ' ' PRO . 21.9 m 60.96 117.91 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.95 139.22 24.16 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.645 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -57.75 154.51 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.827 HD23 HD13 ' A' ' 35' ' ' ILE . 17.8 tp -91.18 110.6 21.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.82 99.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 HG21 ' A' ' 107' ' ' ILE . 70.4 mt -88.69 114.18 25.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.12 125.0 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 18.4 m-85 -83.44 90.1 7.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.4 m -76.14 -31.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 15.1 mttt -134.48 -175.16 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 87.81 -172.82 42.77 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.45 20.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.453 1.764 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 3.3 mtp85 -98.04 3.18 49.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 117.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.13 1.34 33.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.13 158.72 16.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.04 138.56 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -124.79 168.35 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.89 137.56 22.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.418 ' HB2' HD11 ' A' ' 35' ' ' ILE . 98.7 m-85 -138.55 151.62 47.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -69.51 162.78 64.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.599 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.02 132.43 15.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.62 8.16 61.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 116.68 33.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.6 m -68.1 118.35 11.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.827 HD13 HD23 ' A' ' 13' ' ' LEU . 3.8 mt -103.57 94.73 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -79.55 105.22 10.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG23 HD12 ' A' ' 60' ' ' ILE . 45.3 t -96.2 125.69 49.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.42 -155.04 6.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -103.3 -41.87 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.622 HG12 HG22 ' A' ' 55' ' ' THR . 3.9 pt -91.23 140.22 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 47' ' ' ALA . 15.9 m -66.86 -37.62 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 123.66 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 47.28 68.09 1.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 34.3 m-20 -173.81 135.13 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -67.39 -36.37 81.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mt -138.84 142.21 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 39' ' ' ARG . . . -135.91 117.4 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.7 ' HB ' HD13 ' A' ' 53' ' ' ILE . 4.6 mt -108.81 122.3 63.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -90.37 68.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.663 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 6.1 t70 -109.55 -4.7 16.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 82.27 -58.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.17 -23.42 3.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.7 HD13 ' HB ' ' A' ' 48' ' ' ILE . 13.7 mt -93.48 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.18 166.53 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' ILE . 55.6 p -45.54 -56.94 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -112.47 67.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.2 t-160 -65.31 -67.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -147.93 172.62 13.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -135.41 129.07 32.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.586 HG12 HD12 ' A' ' 69' ' ' ILE . 6.2 mt -105.33 137.6 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.78 168.15 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.01 171.92 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -135.27 89.85 2.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.35 -72.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 34.51 1.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -144.15 165.24 28.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.793 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.638 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.3 m95 -110.46 138.03 47.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.87 155.37 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.586 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -126.49 147.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -140.35 128.05 21.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.0 t0 -85.73 105.36 16.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.9 OUTLIER -72.4 57.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.21 50.42 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 88.5 p -39.28 -91.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.0 -56.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.16 -32.2 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.94 162.21 15.25 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 85' ' ' LEU . 19.2 m -107.7 147.7 30.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.362 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.2 mt -117.65 133.04 56.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD22 HD21 ' A' ' 85' ' ' LEU . 29.5 tp -117.96 109.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 60.39 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 4.7 t -144.85 61.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -179.34 142.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.755 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.45 123.75 28.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 HD22 ' A' ' 80' ' ' LEU . 92.6 mt -61.47 -176.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.88 144.24 31.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.5 Cg_endo -74.96 -37.54 2.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -90.99 34.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 67.7 m -158.13 146.95 19.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 81.6 p -123.26 122.62 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -104.89 148.98 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -89.68 114.24 25.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.41 147.21 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 111' ' ' PHE . . . -120.93 -167.57 13.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.43 121.93 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.04 30.56 46.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.37 120.26 27.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 t -89.8 120.94 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.94 109.59 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -98.65 104.87 16.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -126.02 161.82 26.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 70.62 -140.74 32.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.597 1.186 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -92.88 -69.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' GLY . 96.6 m-85 -124.85 46.83 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -115.52 123.11 47.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.359 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.722 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.5 m -127.59 134.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 15' ' ' LEU . 29.6 mt -118.38 140.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 109' ' ' VAL . 2.0 tp -108.73 131.19 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 108' ' ' LEU . 58.6 t -97.64 116.96 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.512 ' ND2' HD11 ' A' ' 108' ' ' LEU . 0.5 OUTLIER -124.02 121.54 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.479 ' CE2' ' C ' ' A' ' 94' ' ' GLY . 11.4 m-85 -83.4 108.21 16.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.645 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 24.7 m -88.63 141.75 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 110.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 81.95 161.99 29.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.73 26.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.1 t -45.85 -59.6 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m 53.0 85.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.46 164.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -154.63 153.99 32.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.39 124.03 7.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -104.45 136.03 44.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -96.05 116.95 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.68 121.78 7.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.28 149.76 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.25 -5.16 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 13.6 m -136.71 115.28 10.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.16 26.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.637 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.71 154.14 15.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD23 HD13 ' A' ' 35' ' ' ILE . 17.7 tp -91.11 110.58 21.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.408 1.068 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -105.42 98.84 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 107' ' ' ILE . 78.9 mt -86.8 109.91 19.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 57.9 t -99.67 125.99 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 5.7 m-85 -85.02 88.03 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.744 HG23 ' HB2' ' A' ' 106' ' ' SER . 11.0 m -75.07 -27.49 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -141.93 173.75 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.61 -171.51 23.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.3 Cg_endo -74.98 -16.6 20.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -102.13 6.84 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.22 117.92 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.224 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 5.79 33.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -103.41 161.22 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.06 126.59 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 1.3 mt -113.23 170.52 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -148.73 134.62 19.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -135.23 148.79 49.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -70.71 164.52 54.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.98 137.23 21.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.48 15.78 63.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.14 104.32 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 35.1 m -61.25 122.96 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.715 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -107.24 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 104.97 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 46' ' ' ILE . 42.1 t -92.49 118.78 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.05 -153.12 6.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.436 1.085 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -109.62 -36.14 6.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.553 HG12 HG22 ' A' ' 55' ' ' THR . 4.6 pt -96.52 135.03 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -60.69 -38.65 79.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -49.78 119.76 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 50.36 67.33 1.92 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 33.6 m-20 -173.32 129.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.1 mm-40 -66.14 -33.41 75.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 HG22 ' A' ' 37' ' ' VAL . 68.3 mt -137.89 139.09 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.42 120.3 19.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.868 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.0 mt -110.53 132.6 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.85 71.65 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.613 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.2 t70 -120.92 -1.69 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.0 -58.11 0.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.06 -24.93 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.868 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -94.46 141.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.32 159.35 18.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.553 HG22 HG12 ' A' ' 40' ' ' ILE . 81.5 p -39.21 -60.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -107.68 68.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.493 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.2 t-160 -70.65 -66.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -152.96 170.86 19.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -134.98 143.13 46.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 13' ' ' LEU . 17.5 mt -109.16 139.32 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.42 160.72 42.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -116.97 141.18 48.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -110.3 -153.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.5 m -44.36 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.962 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 37.59 48.74 1.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -156.28 165.14 37.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.658 ' CE3' HD22 ' A' ' 13' ' ' LEU . 95.1 m95 -114.15 145.24 41.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.74 152.69 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 2.7 tt -124.47 147.03 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.27 127.11 18.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 7.5 t70 -85.88 110.45 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -76.77 54.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.48 68.11 0.13 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.493 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 28.9 p -80.99 50.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 74' ' ' SER . 0.2 OUTLIER 34.89 52.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.014 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -179.76 -61.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.14 161.95 14.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.441 ' OG1' HD23 ' A' ' 58' ' ' LEU . 16.6 m -111.66 141.24 45.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 0.798 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.3 mt -107.7 140.47 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' SER . 16.6 tp -127.24 107.64 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.9 m-80 66.25 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.7 m -163.37 56.42 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -170.14 136.58 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.628 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.93 118.73 21.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 ' HB ' ' A' ' 78' ' ' THR . 39.8 mt -65.52 169.17 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.51 145.46 36.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.4 Cg_endo -74.94 -28.76 9.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.78 7.06 47.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.2 m -136.01 135.91 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.23 127.35 55.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.7 t -104.13 151.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.74 112.48 21.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 109' ' ' VAL . 34.4 mt -50.17 164.25 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.82 154.56 25.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.93 114.17 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.94 16.02 24.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 80' ' ' LEU . 4.4 m-20 -87.91 125.12 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.58 123.92 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.11 106.53 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -97.02 104.97 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -126.06 161.57 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.86 -131.5 15.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -101.69 -64.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -131.34 49.02 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.521 HG21 HD13 ' A' ' 48' ' ' ILE . 7.2 m -116.96 118.61 32.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.744 ' HB2' HG23 ' A' ' 18' ' ' VAL . 46.9 m -121.4 133.75 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG21 HD22 ' A' ' 15' ' ' LEU . 15.7 mt -120.75 127.1 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -96.15 136.99 35.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 77.7 t -101.01 121.2 51.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.07 122.83 30.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.44 111.42 19.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.637 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 20.0 m -92.31 128.69 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.66 97.37 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 55.27 -163.44 4.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -43.07 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.8 m -157.12 121.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 m -80.76 113.01 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -107.91 154.17 21.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 61.85 160.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.27 -107.32 0.2 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.61 150.99 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.29 -55.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.93 -156.48 9.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -166.2 170.97 12.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.25 -51.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 31' ' ' PRO . 19.8 m -126.32 114.89 23.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.58 42.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -74.43 147.05 42.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.047 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -91.67 110.62 21.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -112.37 108.92 18.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 46' ' ' ILE . 62.6 mt -89.81 115.43 27.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.63 124.82 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 22' ' ' ARG . 56.3 m-85 -86.61 90.31 8.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.0 m -77.86 -30.16 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 1.9 mmtt -132.97 -169.54 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 79.42 -169.48 53.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -25.14 12.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 8.3 mtp180 -87.07 0.32 55.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 28.9 tt0 -39.61 114.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.44 -3.62 29.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -102.24 156.3 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.753 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.51 150.92 28.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.432 HD13 HG12 ' A' ' 46' ' ' ILE . 6.9 mt -138.41 168.74 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -148.26 143.09 26.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -141.43 162.76 34.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.49 166.17 36.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.97 130.6 13.46 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.97 19.01 32.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -117.56 111.83 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.1 m -67.47 132.42 47.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.9 mt -116.97 94.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -75.66 106.22 7.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 90.9 t -93.81 120.02 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.42 -150.48 5.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -104.8 -22.12 13.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.638 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 20.0 pt -106.89 154.81 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.741 HG13 ' HB3' ' A' ' 47' ' ' ALA . 2.9 m -92.73 -34.13 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -41.73 -88.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -86.63 69.63 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 43' ' ' GLY . 5.6 m-80 177.95 142.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.657 ' HB3' HG23 ' A' ' 35' ' ' ILE . 1.9 tp10 -70.16 -34.05 72.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.518 ' CD1' HD12 ' A' ' 15' ' ' LEU . 57.4 mt -139.53 144.45 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.741 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -133.45 149.18 51.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.856 ' HB ' HD13 ' A' ' 53' ' ' ILE . 3.4 mt -134.97 119.83 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.93 69.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 61.2 t0 -114.98 -9.43 12.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 81.89 -57.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.48 -21.87 3.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.856 HD13 ' HB ' ' A' ' 48' ' ' ILE . 9.5 mt -91.99 143.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.23 168.9 8.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 2.2 p -49.96 -52.19 35.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -115.57 62.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.0 t60 -60.79 -65.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -149.37 172.74 14.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -133.5 131.68 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.7 mt -104.97 132.02 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 168.41 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.525 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 6.1 t -128.2 135.35 49.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.83 162.43 38.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.89 52.87 7.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.18 41.81 8.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -153.51 169.51 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 82.1 m95 -111.81 141.49 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.41 158.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -123.8 146.13 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -141.96 124.31 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.3 t0 -83.57 105.58 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -69.67 60.63 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.17 46.1 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 1.1 p -49.33 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -78.73 -65.62 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.74 174.89 14.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.42 ' OG1' HD23 ' A' ' 58' ' ' LEU . 38.5 m -116.73 144.6 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 84' ' ' ALA . 31.1 mt -121.71 130.89 53.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 99' ' ' ILE . 8.8 tp -123.25 104.51 9.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' SER . 57.8 m-80 51.26 80.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' ASN . 1.6 m 37.51 48.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.68 132.09 11.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.719 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -87.59 126.14 34.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 mt -75.27 -175.33 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 150.32 53.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.84 4.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -92.89 31.06 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.237 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.8 m -152.41 147.5 26.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 98.5 p -128.33 120.31 26.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.01 159.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -97.08 117.26 30.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.765 HD22 HG21 ' A' ' 109' ' ' VAL . 46.6 mt -54.34 168.98 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.12 152.93 24.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.3 t70 -68.37 114.03 6.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 0.803 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.555 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 106.05 13.0 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.643 ' HB3' HD11 ' A' ' 80' ' ' LEU . 15.5 m-20 -88.16 124.33 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.68 114.49 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 80' ' ' LEU . 28.4 mt -95.47 110.0 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -100.38 105.02 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -125.96 163.73 22.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.35 -140.17 33.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -81.9 -70.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -137.2 53.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.454 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 1.7 m -110.83 120.53 42.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.635 ' HB2' HG23 ' A' ' 18' ' ' VAL . 13.1 m -117.32 131.22 56.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 101' ' ' LEU . 26.8 mt -120.22 128.58 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.647 HD22 ' ND2' ' A' ' 110' ' ' ASN . 1.7 tt -96.14 132.93 41.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.765 HG21 HD22 ' A' ' 93' ' ' LEU . 44.1 t -95.32 115.37 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.647 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -122.71 134.02 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -96.54 111.89 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.9 t -97.39 110.42 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 t -98.72 77.08 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 86.44 -161.48 33.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -178.82 4.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 m -95.64 98.25 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.9 t -84.86 131.33 34.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -107.55 149.94 27.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 p -176.89 123.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.37 -87.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.97 168.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.69 140.92 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.26 167.63 46.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.4 mmt -111.58 118.05 34.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.01 -33.37 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 3.5 m -72.28 113.29 19.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.19 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -63.04 144.94 56.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -91.76 110.58 21.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.2 116.17 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.427 HD22 HG21 ' A' ' 107' ' ' ILE . 81.5 mt -99.04 109.56 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -100.95 126.23 54.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 18.8 m-85 -85.04 88.02 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.075 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.4 m -74.99 -31.52 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 23.0 mttt -134.31 -173.79 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.62 -170.99 41.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.2 Cg_endo -75.03 -21.67 15.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.01 4.87 53.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -41.26 114.63 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.95 0.51 24.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -103.58 160.89 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.49 137.42 14.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.54 167.91 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -148.91 147.44 28.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.9 175.03 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.15 164.4 18.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 18.3 Cg_endo -74.98 126.14 9.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.5 9.48 43.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.15 119.11 38.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -73.76 129.61 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HD13 HD12 ' A' ' 13' ' ' LEU . 2.7 mp -113.51 95.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 5.1 mtm180 -78.76 109.1 12.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 t -95.76 118.85 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.37 -154.99 6.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -102.98 -32.19 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG13 ' ND2' ' A' ' 44' ' ' ASN . 31.1 pt -102.7 143.56 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 41' ' ' VAL . 3.9 m -71.04 -35.08 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.2 mtt-85 -70.72 113.22 7.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.95 -56.39 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' ND2' HG13 ' A' ' 40' ' ' ILE . 2.8 m-80 -90.62 144.33 25.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -61.85 -64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.3 mt -99.61 139.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.22 135.72 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.883 ' HB ' HD13 ' A' ' 53' ' ' ILE . 9.1 mt -125.2 116.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -85.8 71.81 10.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.596 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 t0 -120.59 -2.24 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 77.83 -55.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.3 -23.97 1.41 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.883 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -96.8 139.91 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.55 161.32 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 p -42.17 -54.27 3.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.9 70.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.4 t-160 -72.55 -64.02 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -155.8 172.71 17.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' HG2' HD11 ' A' ' 72' ' ' LEU . 14.9 ptt180 -137.07 143.15 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.408 HG12 HD12 ' A' ' 69' ' ' ILE . 58.6 mt -104.38 134.4 45.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -141.41 167.32 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.405 ' N ' ' OE1' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -123.83 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -109.72 -153.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.76 93.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 39.41 47.34 2.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -155.99 164.88 37.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.545 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 91.5 m95 -114.5 145.25 42.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.44 155.69 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.408 HD12 HG12 ' A' ' 60' ' ' ILE . 1.7 tt -124.65 143.03 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 72' ' ' LEU . 2.9 tt0 -142.02 119.78 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.2 OUTLIER -77.15 110.17 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -69.24 64.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 36.72 45.22 1.01 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.3 t -63.89 175.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.018 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.88 51.56 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.39 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 78' ' ' THR . . . 104.57 -4.0 43.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' GLY . 58.2 m 57.93 153.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.733 . . . . 0.0 110.38 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 84' ' ' ALA . 53.5 mt -127.05 141.86 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD11 ' HB3' ' A' ' 97' ' ' ASP . 37.8 tp -126.77 103.41 7.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 63.4 m-80 66.37 -69.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -160.84 53.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -165.19 138.69 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.716 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.39 122.22 28.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 77' ' ' GLY . 76.8 mt -63.94 161.07 16.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.57 158.54 64.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 -63.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.06 -26.71 68.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.3 m -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.7 p -126.8 145.05 50.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.57 148.42 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -89.78 123.0 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 109' ' ' VAL . 24.4 mt -56.18 174.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.64 154.75 25.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.7 OUTLIER -69.69 116.18 9.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.05 12.84 38.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.675 ' HB3' HD11 ' A' ' 80' ' ' LEU . 12.1 m-20 -86.17 121.9 29.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.6 t -92.41 123.12 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.51 106.58 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -99.49 105.76 17.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.23 167.81 14.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.78 -119.21 8.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -113.71 -69.28 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.285 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -127.36 49.18 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 HG21 HD13 ' A' ' 48' ' ' ILE . 2.0 m -115.9 124.38 50.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.702 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -123.29 138.41 54.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.427 HG21 HD22 ' A' ' 15' ' ' LEU . 11.6 mt -125.04 128.3 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 1.0 OUTLIER -95.87 131.57 42.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 93' ' ' LEU . 48.6 t -97.84 116.64 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.511 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.05 135.28 53.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 12.7 m-85 -98.71 106.94 19.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.05 116.95 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.81 84.9 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 130.08 156.19 8.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.06 6.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -148.16 94.81 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.938 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 95.0 p -84.22 -12.04 55.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m 51.97 100.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.781 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -134.97 167.82 20.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.59 -100.62 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.03 150.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.64 143.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.08 -165.0 21.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mtm -178.14 107.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 0.726 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.8 m -121.78 84.32 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 31' ' ' PRO . 18.7 m 65.31 118.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 158.09 42.42 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -72.68 141.31 48.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.079 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -91.69 110.66 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 16' ' ' VAL . 29.9 ttp180 -111.5 117.0 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 107' ' ' ILE . 76.9 mt -96.9 108.38 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 14' ' ' ARG . 68.9 t -99.94 124.87 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 42.7 m-85 -83.66 89.58 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' HB2' ' A' ' 106' ' ' SER . 6.1 m -74.35 -31.55 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -136.18 -172.65 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 85.69 -168.69 41.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.01 5.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . 4.2 mtp85 -83.71 -0.08 49.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 29.4 tt0 -39.23 117.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.01 -5.31 30.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.37 159.09 15.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -154.0 149.86 27.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG12 ' A' ' 46' ' ' ILE . 4.2 mt -135.38 171.29 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 6.9 t70 -147.05 150.01 34.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 28' ' ' ASP . 38.5 m-85 -147.64 154.43 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 162.98 69.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' HB3' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.0 128.61 11.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.67 16.54 28.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.25 120.26 39.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m -76.06 122.01 23.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 29' ' ' TYR . 2.8 mp -104.48 105.42 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -86.01 104.06 15.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 53.4 t -91.88 123.73 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.31 7.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -97.2 -26.24 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.855 HD11 HG23 ' A' ' 55' ' ' THR . 40.7 pt -106.44 166.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.733 HG13 ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -101.44 -26.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' VAL . 2.8 mpt_? -35.75 -90.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -96.59 62.14 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' THR . 79.8 m-20 -166.37 140.56 4.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -68.74 -44.88 72.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 27' ' ' LEU . 23.1 mt -125.34 140.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.733 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -128.6 128.61 44.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.516 HG21 HG21 ' A' ' 105' ' ' THR . 3.9 mt -115.14 127.55 72.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.56 69.85 4.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 29.0 t0 -112.76 -6.78 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 78.77 -57.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.36 -21.9 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 48' ' ' ILE . 63.1 mt -89.98 142.45 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.65 157.72 17.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.855 HG23 HD11 ' A' ' 40' ' ' ILE . 1.2 m -42.01 -50.94 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 66.66 0.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.0 t-160 -68.64 -63.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.643 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.69 172.14 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -131.48 146.13 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' ILE . 73.7 mt -113.15 135.03 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.02 168.56 20.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.503 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.0 OUTLIER -128.75 142.22 51.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -152.25 155.08 37.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.21 58.67 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.24 39.81 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -150.32 167.47 26.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 83.3 m95 -112.03 146.46 37.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.005 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.9 157.18 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.4 tt -128.1 144.87 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -142.32 125.39 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -83.34 109.39 17.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -71.55 59.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.5 48.54 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.584 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.9 p -39.52 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.59 -57.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 77' ' ' GLY . 8.8 p30 -83.36 -39.88 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 118.29 161.08 11.76 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.8 m -105.93 147.56 28.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 84' ' ' ALA . 37.6 mt -118.87 139.97 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.8 tp -125.29 104.41 8.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 75.9 m-20 65.13 -71.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -159.4 60.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -175.12 135.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.679 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.15 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 80' ' ' LEU . 39.2 mt -65.77 170.55 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.34 148.63 61.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.57 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' HG1' ' A' ' 89' ' ' THR . 43.3 mt-10 -90.6 31.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.451 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 81.2 m -153.59 143.34 21.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.4 p -118.69 129.69 55.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.84 149.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -86.11 135.9 33.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.613 HD22 HG21 ' A' ' 109' ' ' VAL . 45.5 mt -77.3 171.18 15.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.2 155.6 26.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t70 -69.23 112.67 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.8 13.44 21.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -88.96 124.3 34.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.97 126.73 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.01 106.35 20.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -96.04 105.33 17.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.55 164.17 21.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.98 -142.59 38.2 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -140.97 50.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.516 HG21 HG21 ' A' ' 48' ' ' ILE . 3.4 m -110.38 116.73 31.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.718 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.9 m -115.86 134.35 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 15' ' ' LEU . 43.0 mt -120.84 135.93 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 109' ' ' VAL . 8.8 tp -102.73 138.66 39.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.634 ' N ' HD12 ' A' ' 108' ' ' LEU . 53.1 t -102.72 115.99 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.48 140.55 52.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 15.3 m-85 -103.8 107.55 18.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.062 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.58 108.8 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -101.34 88.59 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.944 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.42 171.9 39.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.14 33.97 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.85 119.29 2.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.958 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 t -91.96 84.22 5.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -169.36 147.88 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 m -83.25 166.48 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.6 -145.82 19.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -69.72 168.32 15.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 110.013 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.38 154.72 48.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.0 -173.45 47.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.27 95.61 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 m -91.45 -171.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 56.2 m -51.0 125.5 23.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.3 42.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -71.83 144.82 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.5 OUTLIER -93.18 111.47 23.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -113.48 115.76 28.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 107' ' ' ILE . 79.1 mt -97.17 109.22 22.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.4 t -101.41 125.55 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 29.0 m-85 -83.28 89.64 7.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG11 HD12 ' A' ' 108' ' ' LEU . 15.6 m -74.17 -31.17 28.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -134.68 -170.87 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.45 -172.77 47.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.15 18.11 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 3.87 52.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -40.4 115.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.99 -2.05 24.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.03 156.2 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -153.1 138.86 17.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -125.9 170.44 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -149.12 147.35 28.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -145.26 171.56 14.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.57 165.19 18.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.486 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.01 12.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.81 13.14 44.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -111.71 109.24 19.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.5 m -66.55 123.11 19.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.7 mp -108.26 94.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -78.4 107.16 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 42.3 t -91.84 118.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.26 -146.82 5.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.2 ttt180 -116.58 -10.26 11.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 55' ' ' THR . 8.9 pt -129.59 122.81 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.852 HG13 ' HB3' ' A' ' 47' ' ' ALA . 4.4 m -56.45 -28.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -32.99 -89.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -99.4 59.09 0.82 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 77.6 m-20 -164.74 136.04 4.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.693 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -61.48 -35.27 77.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.2 mt -139.43 134.71 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.852 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -125.2 137.41 54.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.688 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.3 mt -122.84 131.36 73.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.34 68.32 4.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.619 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 7.1 t0 -115.82 -9.04 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 79.3 -55.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.45 -24.18 1.57 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -93.72 140.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 157.49 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 HG12 ' A' ' 40' ' ' ILE . 18.3 p -37.94 -53.06 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -116.13 69.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.2 t60 -69.53 -64.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.76 172.33 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.0 ptt180 -133.84 145.59 49.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.9 mt -110.83 134.17 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -142.67 166.86 23.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.1 t -128.78 139.41 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -144.28 156.05 44.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.9 62.94 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 39.82 40.38 1.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.66 165.69 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 88.3 m95 -113.59 143.36 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.27 153.84 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -120.9 145.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.34 123.34 16.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLY . 19.6 t0 -82.77 107.07 15.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -69.6 61.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' ASP . . . 37.84 42.91 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.618 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 10.2 p -48.97 162.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.13 66.86 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 164.56 -49.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.19 145.68 10.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 85' ' ' LEU . 25.4 m -98.41 147.74 24.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 84' ' ' ALA . 45.2 mt -120.68 141.85 50.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 tp -127.16 103.54 7.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.417 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 56.4 m-80 66.91 -68.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' LEU . 5.0 m -163.06 57.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -172.01 133.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.704 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -78.13 121.53 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.536 HD12 ' CG2' ' A' ' 78' ' ' THR . 36.2 mt -65.93 165.65 12.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.56 152.68 62.0 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -40.39 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.3 12.54 9.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -139.38 141.79 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.8 125.99 38.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.62 160.46 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -94.82 122.21 37.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 109' ' ' VAL . 62.1 mt -58.38 167.35 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD2' ' A' ' 97' ' ' ASP . . . -155.22 153.41 24.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -66.15 106.71 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.43 21.34 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 6.3 m-20 -93.07 125.23 37.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.85 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.8 mt -103.83 107.86 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -98.42 105.91 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 HG12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -124.94 162.19 24.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.68 -126.03 10.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -103.88 -68.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -130.45 50.65 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.3 m -115.46 120.46 39.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.736 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -120.04 135.74 54.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.472 HG21 HD22 ' A' ' 15' ' ' LEU . 32.3 mt -122.42 130.5 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -97.05 137.91 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 93' ' ' LEU . 54.7 t -102.89 116.77 47.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.494 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -124.53 135.32 53.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.3 m-85 -98.75 106.72 19.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -88.53 106.65 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 -54.73 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.84 -170.49 42.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.1 42.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.5 t -105.25 124.4 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.8 t -144.86 99.5 3.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -138.6 147.91 43.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.98 137.89 58.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -167.28 35.81 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.34 140.3 33.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.57 149.46 40.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.32 140.08 2.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.69 127.81 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 m -99.38 -7.31 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 7.4 m -90.23 119.22 69.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 146.42 32.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -66.39 150.91 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 35' ' ' ILE . 22.4 tp -91.67 112.54 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.6 ttt180 -111.62 102.86 11.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.4 mt -88.88 112.22 23.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 39.0 t -105.68 125.08 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 50.8 m-85 -85.22 91.63 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 106' ' ' SER . 12.2 m -76.0 -28.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -134.18 -175.01 3.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.26 -176.49 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.05 20.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.775 ' NH2' HG23 ' A' ' 46' ' ' ILE . 6.4 mtm180 -100.03 3.76 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 1.6 tm-20 -39.6 121.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.44 3.85 35.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.72 154.2 19.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.26 145.4 25.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 46' ' ' ILE . 1.1 mt -130.64 174.04 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -148.57 142.22 25.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' CG ' HG12 ' A' ' 35' ' ' ILE . 94.3 m-85 -146.17 152.01 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.68 164.35 60.02 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -75.02 129.03 11.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.58 15.94 35.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.33 113.65 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.1 m -67.62 122.78 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.736 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -108.34 94.75 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -75.94 118.47 18.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 98.9 t -107.06 117.83 53.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.18 -154.44 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -104.91 -28.99 10.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 55' ' ' THR . 5.9 pt -106.54 136.61 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 47' ' ' ALA . 4.4 m -65.21 -36.16 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 40' ' ' ILE . 14.9 mtt-85 -71.13 109.95 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.81 -52.03 0.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -103.23 152.17 21.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -66.59 -62.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' NH2' ' A' ' 22' ' ' ARG . 39.1 mt -93.94 137.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -135.87 140.16 43.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.8 mp -127.98 124.43 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.3 mmpp? -75.19 66.34 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.72 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -132.01 109.88 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.41 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' ' C ' ' A' ' 50' ' ' ASP . . . -56.44 -46.1 88.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.746 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -80.67 167.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.538 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.81 172.3 13.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 HG22 HG12 ' A' ' 40' ' ' ILE . 44.2 p -73.36 109.04 6.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.37 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.0 mttt 79.77 28.62 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.607 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 4.6 t60 -39.05 -57.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.664 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -151.32 171.89 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' A' ' 72' ' ' LEU . 14.4 ptt180 -134.2 133.28 40.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.682 HG21 HD21 ' A' ' 13' ' ' LEU . 70.7 mt -101.54 136.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.68 173.46 12.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -122.27 136.45 54.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 65' ' ' GLY . 9.0 t0 -102.16 -151.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.32 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 41.33 47.38 4.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.574 1.171 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -156.91 165.53 35.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.7 ' CE3' HD22 ' A' ' 13' ' ' LEU . 97.0 m95 -108.53 143.11 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.88 155.08 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.424 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -123.38 147.71 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -141.19 126.29 18.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.28 111.37 20.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -73.34 57.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.35 45.21 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.607 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 48.0 t -57.98 149.72 22.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -68.84 74.67 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' SER . 2.1 m-20 160.5 -67.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.36 156.83 9.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.603 HG21 ' CD2' ' A' ' 58' ' ' LEU . 7.4 m -110.84 144.08 40.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 84' ' ' ALA . 29.8 mt -115.92 145.61 42.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 85' ' ' LEU . 14.4 tp -127.18 104.11 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 41.0 m-80 68.14 -67.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' LEU . 11.5 p -165.11 43.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.19 134.25 11.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -76.79 122.8 25.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 80' ' ' LEU . 46.8 mt -68.73 176.76 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.6 147.33 63.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -35.14 3.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' HG1' ' A' ' 89' ' ' THR . 48.3 mt-10 -91.51 23.56 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 88' ' ' GLU . 28.0 m -153.15 140.1 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.12 125.35 47.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.054 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.4 t -101.15 148.56 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ASN . 15.2 p-10 -84.26 113.71 21.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -49.75 164.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.2 161.06 27.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.25 100.17 3.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 112.16 19.88 6.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.34 123.62 33.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.8 t -94.19 123.74 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.4 mt -103.81 104.1 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -94.89 105.47 17.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.3 164.15 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.42 -132.04 24.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.4 ' HG3' ' CA ' ' A' ' 52' ' ' GLY . 7.9 mt-10 -95.03 -69.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -131.78 50.54 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 53' ' ' ILE . 5.3 m -114.33 116.43 28.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.2 m -117.55 132.15 56.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 101' ' ' LEU . 12.3 mt -119.1 124.25 72.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.576 HD21 ' HA2' ' A' ' 96' ' ' GLY . 2.3 tt -92.32 136.27 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 93' ' ' LEU . 59.4 t -101.51 121.04 51.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.495 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -128.37 127.8 43.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -89.41 108.89 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 50.0 t -88.13 110.64 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.38 38.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -86.54 162.6 34.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.35 4.35 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.2 p -80.9 114.55 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.92 145.97 47.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 110.967 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -148.84 162.37 39.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 0.795 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.73 151.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.62 -141.18 15.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 61.65 112.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.04 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.26 126.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.77 -120.4 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -157.17 147.86 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 m -98.69 155.65 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.435 ' HB ' ' CB ' ' A' ' 31' ' ' PRO . 2.8 m 61.96 116.93 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 148.33 35.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.728 ' HB2' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -67.08 152.63 45.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 35' ' ' ILE . 24.6 tp -91.47 110.03 21.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.598 ' NH2' HG12 ' A' ' 112' ' ' VAL . 6.4 ttp180 -104.32 101.75 11.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 107' ' ' ILE . 72.2 mt -88.72 108.84 19.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.6 t -100.43 125.26 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 48' ' ' ILE . 9.1 m-85 -82.64 90.34 6.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.7 m -76.98 -29.29 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -136.26 -177.32 4.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.91 -173.24 39.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -75.02 -14.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -101.65 7.44 42.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -44.13 114.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.24 4.33 25.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.16 165.95 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.08 142.13 15.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -127.82 172.95 10.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -148.56 140.18 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' OH ' HD11 ' A' ' 46' ' ' ILE . 73.7 m-85 -143.32 145.54 32.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.31 164.58 58.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 130.15 13.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.27 14.23 42.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -112.29 105.59 13.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 110.043 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -62.26 122.5 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 13' ' ' LEU . 2.7 mp -105.07 103.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -85.34 107.8 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG23 HD12 ' A' ' 60' ' ' ILE . 24.0 t -98.89 124.96 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.49 -153.79 6.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -103.0 -38.99 7.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 55' ' ' THR . 13.6 pt -100.74 137.8 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 47' ' ' ALA . 3.8 m -65.67 -35.47 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -42.03 106.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.86 62.73 5.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -167.53 132.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -63.52 -40.12 96.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' OH ' ' A' ' 29' ' ' TYR . 45.4 mt -135.99 134.92 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -137.93 113.92 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.546 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 mt -101.92 104.39 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.7 61.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.3 t0 -90.05 -77.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 162.4 -59.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.49 -15.9 19.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -91.02 158.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.26 169.55 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HG12 ' A' ' 40' ' ' ILE . 21.7 p -46.61 -62.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 68.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.573 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.9 t-160 -65.41 -66.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 78' ' ' THR . 0.2 OUTLIER -148.49 172.49 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -134.5 132.93 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG12 HD12 ' A' ' 69' ' ' ILE . 8.4 mt -106.49 133.21 51.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' OE1' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 0.2 OUTLIER -115.66 162.2 17.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' GLY . 19.2 t0 -121.43 94.53 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 -73.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -141.76 34.39 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 62' ' ' SER . 15.6 m120 -142.71 164.42 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 13' ' ' LEU . 98.0 m95 -109.42 136.26 49.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' OE1' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -137.47 149.55 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.543 HD12 HG12 ' A' ' 60' ' ' ILE . 2.9 tt -119.48 147.58 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -139.3 128.99 24.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 8.0 t0 -86.56 104.91 16.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -72.07 58.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 32.82 46.19 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.1 p -52.08 160.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.91 62.8 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.64 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.06 153.39 15.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.612 HG21 HD23 ' A' ' 58' ' ' LEU . 11.2 m -106.68 147.96 28.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.786 HD23 ' HA ' ' A' ' 84' ' ' ALA . 20.9 mt -120.61 137.25 54.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' CD2' HD21 ' A' ' 85' ' ' LEU . 12.4 tp -121.5 110.6 16.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 60.07 -85.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -144.95 60.42 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -177.61 143.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.786 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -84.71 122.68 29.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 80' ' ' LEU . 87.5 mt -64.35 166.75 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.72 147.3 45.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -75.04 -36.03 2.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -90.57 15.0 11.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 m -140.83 138.03 33.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.436 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.87 126.16 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.76 164.71 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 92' ' ' ASN . 8.6 p30 -94.94 112.73 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.641 HD22 HG21 ' A' ' 109' ' ' VAL . 53.1 mt -47.12 156.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.96 158.7 24.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.93 113.55 9.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.27 17.77 19.04 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' HD11 ' A' ' 80' ' ' LEU . 6.3 m-20 -88.67 121.12 30.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.2 t -92.51 122.82 44.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mt -103.55 102.5 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.5 104.63 16.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 105' ' ' THR . 1.0 OUTLIER -126.6 161.17 28.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.53 -139.86 28.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -91.42 -64.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -131.94 41.41 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 2.7 m -108.1 123.57 48.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.727 ' HB2' HG23 ' A' ' 18' ' ' VAL . 31.3 m -128.24 136.72 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.606 HG21 HD22 ' A' ' 15' ' ' LEU . 41.4 mt -122.84 135.68 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.5 tp -101.79 140.89 35.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.641 HG21 HD22 ' A' ' 93' ' ' LEU . 75.4 t -106.29 111.77 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.467 ' ND2' HD11 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -121.19 125.03 46.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -84.4 110.21 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' A' ' 12' ' ' SER . 31.0 m -94.25 118.52 40.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.36 -54.96 2.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.69 -172.02 21.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.0 p -139.08 148.24 43.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 t -136.78 101.42 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -62.64 116.41 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -61.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.65 138.56 10.28 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -145.38 119.34 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 53.64 94.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.4 -160.26 11.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.67 151.42 37.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -93.55 -5.62 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 2.6 m -101.61 112.82 65.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.72 32.85 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -64.48 146.3 54.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -92.06 110.94 22.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD3' ' CG2' ' A' ' 16' ' ' VAL . 1.9 ttt180 -109.99 113.52 26.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 46' ' ' ILE . 78.3 mt -93.88 109.54 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 14' ' ' ARG . 76.1 t -98.45 129.9 48.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 10.3 m-85 -88.57 83.79 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG23 ' HB2' ' A' ' 106' ' ' SER . 4.9 m -70.77 -32.18 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -135.72 -178.32 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.57 -171.67 27.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.4 14.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -100.18 11.14 40.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 51.0 tt0 -43.4 114.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.38 1.89 19.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.49 163.15 12.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -156.68 141.06 16.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.81 170.9 10.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 1.1 p30 -148.78 148.85 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 45' ' ' GLU . 65.6 m-85 -146.61 179.34 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.56 165.39 14.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.96 130.91 13.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.66 12.65 55.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -107.51 115.97 31.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -72.1 125.05 26.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 45' ' ' GLU . 2.8 mp -109.26 95.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -79.15 104.09 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 25.9 t -93.96 123.2 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.06 -155.29 6.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER -102.15 -36.55 8.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.777 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.743 HG12 HG22 ' A' ' 55' ' ' THR . 29.3 pt -99.94 144.81 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 41' ' ' VAL . 3.7 m -70.25 -35.48 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.45 ' HB2' HD12 ' A' ' 40' ' ' ILE . 10.7 mtt180 -46.88 121.22 3.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.47 65.2 2.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -167.27 139.0 3.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.58 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -73.43 -34.64 65.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.514 ' CD1' HD12 ' A' ' 15' ' ' LEU . 86.7 mt -141.15 139.81 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' O ' ' NH1' ' A' ' 22' ' ' ARG . . . -133.34 143.17 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 53' ' ' ILE . 13.3 mt -132.19 132.28 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -99.9 65.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 1.9 t70 -108.37 -9.86 15.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 83.6 -54.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.25 -30.28 5.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.8 mt -86.05 168.84 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.554 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -135.3 -178.91 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.743 HG22 HG12 ' A' ' 40' ' ' ILE . 41.9 p -77.56 113.94 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 70.81 29.49 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 5.3 t60 -39.23 -50.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.62 167.33 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 72' ' ' LEU . 10.8 ptt180 -130.62 142.2 50.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.419 HG12 HD12 ' A' ' 69' ' ' ILE . 83.9 mt -107.72 131.62 57.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 167.4 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 2.3 t -127.64 138.53 52.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 66' ' ' ASN . 7.3 t70 -145.39 161.19 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.02 54.32 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.35 37.91 8.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 63' ' ' ASP . 6.9 m120 -144.77 168.98 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 85.7 m95 -113.28 139.78 48.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 107.986 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.87 158.67 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 60' ' ' ILE . 3.0 tt -125.46 147.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.7 127.43 19.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.088 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -84.25 109.68 17.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -69.98 59.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 31.96 51.19 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.58 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 18.1 p -50.24 -96.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.46 -61.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -74.18 -44.63 52.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.33 158.44 15.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.615 ' HB ' HD12 ' A' ' 85' ' ' LEU . 24.1 m -103.65 146.27 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 84' ' ' ALA . 40.9 mt -116.02 143.34 45.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 97' ' ' ASP . 14.0 tp -127.26 103.83 7.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 67.93 -67.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 80' ' ' LEU . 36.6 t -164.36 46.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -157.47 135.69 11.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -81.83 123.6 28.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD12 ' HB ' ' A' ' 78' ' ' THR . 34.5 mt -69.07 173.51 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.15 152.12 77.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.23 2.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -89.9 20.89 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.2 m -144.34 145.28 31.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.1 p -126.44 126.94 44.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 t -110.79 149.88 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -90.89 116.46 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 109' ' ' VAL . 55.2 mt -50.4 178.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.5 149.77 16.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.1 t70 -63.85 108.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.589 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 109.28 12.06 20.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.05 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 80' ' ' LEU . 9.6 m-20 -87.48 121.39 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.82 124.36 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 80' ' ' LEU . 28.8 mt -104.69 106.24 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.34 105.72 17.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.415 HD12 HG12 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -125.46 170.56 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.63 -124.88 22.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -109.03 -57.99 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -136.89 40.89 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.2 m -106.91 120.01 40.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.797 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.8 m -120.79 133.73 55.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.452 HG21 HD22 ' A' ' 15' ' ' LEU . 21.7 mt -122.61 127.6 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.629 HD22 ' ND2' ' A' ' 110' ' ' ASN . 1.6 tt -96.42 137.58 35.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.916 HG21 HD22 ' A' ' 93' ' ' LEU . 54.1 t -98.57 116.07 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.629 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -123.99 135.24 53.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.7 m-85 -98.27 113.33 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 t -97.95 113.07 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.3 t -79.66 97.89 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.44 -170.67 50.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.75 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.23 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -76.72 145.54 38.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.132 . . . . 0.0 111.018 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -131.17 77.84 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.22 167.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.42 88.89 2.08 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -172.55 120.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.016 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.54 134.05 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 120.85 0.62 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -98.32 113.78 25.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 0.725 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 m -48.93 -31.0 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' PRO . 5.2 m -89.7 113.09 55.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.09 26.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -57.59 158.37 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.651 HD12 HD13 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -103.73 110.83 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -111.32 107.96 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 13' ' ' LEU . 68.9 mt -91.17 109.3 20.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.06 126.28 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 49.6 m-85 -84.28 88.04 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 106' ' ' SER . 8.7 m -71.83 -31.53 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 18.5 mttt -136.84 -170.93 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 105' ' ' THR . . . 88.59 -173.0 41.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HG23 ' A' ' 48' ' ' ILE . 18.5 Cg_endo -74.97 -16.48 20.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.449 1.763 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -106.36 18.86 21.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 17' ' ' PHE . 35.7 tt0 -53.22 117.07 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.52 -2.48 24.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.58 157.73 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.03 148.33 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD13 HG12 ' A' ' 46' ' ' ILE . 1.6 mt -130.57 174.23 10.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -149.03 146.4 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' A' ' 46' ' ' ILE . 77.7 m-85 -143.93 175.21 10.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -93.84 163.35 24.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.04 127.07 10.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.1 14.79 38.06 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 m -111.79 108.06 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 0.784 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.4 m -61.55 128.48 36.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.651 HD13 HD12 ' A' ' 13' ' ' LEU . 3.3 mt -113.96 94.73 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -77.93 108.73 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.487 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 79.3 t -96.53 120.16 45.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.35 -148.15 5.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' C ' ' HB1' ' A' ' 47' ' ' ALA . 2.6 ttt-85 -106.72 -25.89 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 23.3 pt -114.68 133.75 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.98 HG13 ' HB3' ' A' ' 47' ' ' ALA . 3.3 m -73.73 -26.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -29.93 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . -97.83 59.4 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 80.1 m-20 -166.1 144.52 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -45.69 84.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' A' ' 29' ' ' TYR . 40.8 mt -131.25 143.13 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.98 ' HB3' HG13 ' A' ' 41' ' ' VAL . . . -137.61 156.15 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.69 ' HB ' HD13 ' A' ' 53' ' ' ILE . 8.9 mt -132.68 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 72.13 9.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.849 ' HB3' HD12 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -145.84 118.97 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.8 -29.44 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' CA ' ' OD2' ' A' ' 50' ' ' ASP . . . -61.26 -23.11 61.73 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.849 HD12 ' HB3' ' A' ' 50' ' ' ASP . 7.6 mt -106.37 139.25 28.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.5 172.15 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.1 p -53.01 -48.37 67.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.21 58.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' SER . 3.3 t-160 -56.54 -67.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.572 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' CD2' HG21 ' A' ' 78' ' ' THR . 0.3 OUTLIER -147.5 173.1 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' NH1' ' OE1' ' A' ' 70' ' ' GLN . 15.3 ttt-85 -132.54 137.06 47.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.4 mt -112.09 134.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' NH2' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -145.86 170.84 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.1 t -127.04 141.27 51.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -147.74 155.75 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.24 63.15 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.5 46.51 2.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -155.3 167.09 31.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 90.1 m95 -112.01 141.74 45.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.9 m -137.34 147.82 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 tt -111.69 144.26 19.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.52 ' NE2' HD12 ' A' ' 72' ' ' LEU . 4.2 tt0 -135.47 120.29 18.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.25 107.2 18.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -72.69 58.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 33.66 44.37 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 24.6 p -45.98 171.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.0 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -78.63 -61.43 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.35 -174.25 32.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.516 HG21 ' CD2' ' A' ' 58' ' ' LEU . 86.1 m -125.62 122.43 36.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.435 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' A' ' 84' ' ' ALA . 16.0 mt -95.78 146.28 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.3 tp -127.2 104.86 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 57.3 m-80 67.33 -68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 80' ' ' LEU . 28.9 p -163.8 59.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.78 136.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.554 ' CA ' HD23 ' A' ' 79' ' ' LEU . . . -79.57 117.22 20.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 ' CB ' ' OD2' ' A' ' 71' ' ' ASP . 13.9 mt -57.95 179.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -131.59 140.87 39.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -26.82 10.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.2 32.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.5 m -157.8 152.28 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.0 p -122.17 125.6 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.6 t -103.67 159.0 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.58 109.78 21.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 109' ' ' VAL . 46.5 mt -48.37 165.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.1 151.97 23.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 3.2 t0 -64.44 116.01 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.05 20.03 22.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -90.58 125.17 35.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.11 119.49 46.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.3 mt -102.68 112.29 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -97.76 105.09 17.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -126.23 152.26 46.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.95 -135.3 14.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -100.41 -64.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -130.26 50.17 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 48' ' ' ILE . 1.7 m -121.54 123.85 42.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.809 ' HB2' HG23 ' A' ' 18' ' ' VAL . 16.3 m -125.39 139.36 53.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.421 HG21 HD22 ' A' ' 15' ' ' LEU . 46.4 mt -122.29 139.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.3 tp -109.1 139.84 43.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.635 ' N ' HD12 ' A' ' 108' ' ' LEU . 67.0 t -104.54 123.57 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.42 129.33 44.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 13.1 m-85 -91.84 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 t -93.01 141.63 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.98 77.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.7 173.18 39.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.13 149.27 41.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.58 145.0 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m 63.39 137.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 0.775 . . . . 0.0 110.004 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m -100.82 149.14 24.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.047 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.19 121.1 0.7 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.62 113.58 9.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.979 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -70.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.58 -145.65 8.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 ptp -154.48 136.36 14.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -105.6 4.96 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -140.06 112.81 7.48 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.1 23.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.646 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -56.73 154.6 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 67' ' ' TRP . 16.2 tp -90.93 110.14 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -108.89 101.79 10.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 38.4 mt -90.26 120.45 31.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.98 124.86 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 42.2 m-85 -84.93 94.44 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.2 m -80.95 -24.84 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -134.78 -171.87 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . 80.15 -173.47 54.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.95 -23.13 14.2 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -87.05 -2.93 58.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -36.13 116.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.12 -3.38 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -103.02 151.69 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -148.92 157.03 43.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -137.84 174.54 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -149.16 135.64 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -139.16 145.24 39.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -70.76 165.46 46.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 134.58 18.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.4 14.16 54.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.0 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' ILE . 87.0 m -68.25 130.02 41.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.654 HD13 HD23 ' A' ' 13' ' ' LEU . 3.2 mt -115.32 100.59 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.54 100.96 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 8.8 t -90.46 123.96 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.19 -160.28 9.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -29.97 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.524 HG23 HG22 ' A' ' 55' ' ' THR . 2.7 pt -96.77 153.93 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.019 HG12 ' HB3' ' A' ' 47' ' ' ALA . 26.8 m -91.54 -38.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' VAL . 2.8 mtt180 -37.17 99.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 44' ' ' ASN . . . 82.86 -59.68 4.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' GLY . 1.4 m120 -39.74 135.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.22 -57.03 10.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.697 HG12 HD13 ' A' ' 27' ' ' LEU . 23.9 mt -115.5 136.89 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.019 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -134.1 140.4 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.473 ' HB ' HD13 ' A' ' 53' ' ' ILE . 6.1 mt -129.75 113.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -75.67 70.6 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.719 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 1.8 t0 -109.01 -81.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 50' ' ' ASP . . . 161.54 -57.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.52 -19.26 8.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB ' ' A' ' 48' ' ' ILE . 11.5 mt -92.89 142.68 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -113.59 156.99 22.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.035 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.524 HG22 HG23 ' A' ' 40' ' ' ILE . 75.2 p -37.4 -57.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 69.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.641 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 2.9 t-160 -69.25 -64.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -154.73 169.88 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 12.3 ptt180 -130.21 151.16 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.495 HG21 ' CD2' ' A' ' 13' ' ' LEU . 46.0 mt -118.71 141.84 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.19 161.72 41.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 66' ' ' ASN . 1.2 t -123.35 144.15 49.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.051 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.05 144.91 27.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.95 52.3 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 48.07 44.38 25.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 m-20 -149.41 165.47 31.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' A' ' 13' ' ' LEU . 96.5 m95 -112.05 139.62 47.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 m -136.29 151.24 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 tt -121.59 146.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.03 124.0 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 1.4 t70 -84.68 106.76 16.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -71.79 59.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 34.78 54.43 0.83 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.641 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 95.6 p -69.61 -175.04 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 m -78.88 137.15 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 72.91 -59.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.14 165.89 11.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.4 m -102.56 145.39 29.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 84' ' ' ALA . 39.2 mt -116.3 142.02 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 82' ' ' SER . 15.0 tp -127.18 105.19 8.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 69.5 m-80 64.72 -72.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -158.52 64.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.68 136.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.715 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -79.82 120.66 24.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 67.1 mt -65.14 177.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.82 75.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.98 -36.69 2.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -91.15 31.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.6 m -152.65 143.46 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.5 p -127.84 129.49 47.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 t -111.0 163.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -97.47 113.82 25.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.605 HD22 HG21 ' A' ' 109' ' ' VAL . 51.5 mt -47.63 152.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.32 152.87 23.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 111' ' ' PHE . 1.2 t0 -68.14 120.95 15.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.576 ' HA2' HD21 ' A' ' 108' ' ' LEU . . . 94.61 17.91 37.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.54 119.12 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.9 t -88.04 125.42 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.92 100.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.37 105.13 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.2 pt? -126.01 160.34 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 -134.84 18.14 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.545 ' OE2' ' HB3' ' A' ' 51' ' ' ALA . 29.9 mt-10 -95.92 -68.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' GLY . 85.5 m-85 -129.19 45.33 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 101' ' ' LEU . 1.7 m -112.64 125.8 54.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.578 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.7 m -128.25 139.11 52.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.943 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.563 ' CD1' HD21 ' A' ' 101' ' ' LEU . 11.6 mt -125.37 127.25 71.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' ND2' ' A' ' 110' ' ' ASN . 2.0 tt -95.88 133.51 39.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 93' ' ' LEU . 71.5 t -97.57 116.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.626 ' ND2' HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -123.99 125.33 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 95' ' ' ASP . 10.2 m-85 -85.8 113.92 22.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.646 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 17.3 m -92.24 124.68 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.6 -66.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.34 170.35 18.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 153.29 41.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 117.39 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.0 m -146.52 138.04 24.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.12 136.52 23.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.0 155.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.8 157.23 53.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 p -103.45 98.33 8.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -44.2 124.55 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.04 -133.29 1.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 ttp -142.44 133.78 26.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.67 173.41 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 31' ' ' PRO . 52.5 m -39.24 118.63 1.18 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.58 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.641 ' CB ' ' CG2' ' A' ' 112' ' ' VAL . 0.3 OUTLIER -58.6 151.51 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.1 OUTLIER -90.49 110.4 21.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -105.25 108.72 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 107' ' ' ILE . 73.7 mt -92.93 110.79 22.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -101.26 124.99 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' ' HD3' ' A' ' 22' ' ' ARG . 8.2 m-85 -85.26 88.17 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.723 HG23 ' HB2' ' A' ' 106' ' ' SER . 5.8 m -75.47 -30.35 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -138.51 171.0 15.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.96 -169.06 19.65 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.83 14.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.783 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HD3' ' CZ ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -95.34 4.85 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.66 115.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.47 7.06 32.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.74 164.23 11.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.48 132.54 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -120.78 170.78 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -148.69 144.85 27.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' OH ' ' CG1' ' A' ' 46' ' ' ILE . 74.6 m-85 -146.75 147.83 31.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -69.49 160.67 78.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.2 Cg_endo -75.0 132.88 15.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.96 7.75 56.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -106.18 119.15 38.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 0.757 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.7 m -73.46 119.36 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.756 HG23 ' HB3' ' A' ' 45' ' ' GLU . 3.3 mt -104.66 94.84 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 105.12 11.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' HD11 ' A' ' 58' ' ' LEU . 10.4 t -90.27 116.7 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.53 -157.58 7.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -103.62 -37.31 7.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 pt -94.77 141.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 m -65.53 -42.48 93.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -46.43 130.02 10.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 44' ' ' ASN . . . 42.4 69.24 0.62 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 37.4 m-20 -172.46 131.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.756 ' HB3' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -69.47 -33.36 72.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' OH ' ' A' ' 29' ' ' TYR . 96.6 mt -141.4 138.97 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.89 138.04 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.901 ' HB ' HD13 ' A' ' 53' ' ' ILE . 11.4 mt -128.58 125.19 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -95.71 72.88 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.639 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 2.5 t70 -120.47 -0.53 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 80.22 -63.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -41.65 -27.32 0.31 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.901 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.1 mt -89.35 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.57 173.44 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.0 p -49.17 -69.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 62.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.555 ' CD2' ' OG ' ' A' ' 74' ' ' SER . 3.4 t-160 -59.62 -66.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.573 HD23 ' OG1' ' A' ' 78' ' ' THR . 0.4 OUTLIER -150.86 172.2 16.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -135.04 140.66 45.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' ILE . 46.3 mt -113.56 137.97 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -149.77 166.74 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB2' ' CD2' ' A' ' 67' ' ' TRP . 1.6 t -123.61 141.27 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -147.6 155.62 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.85 60.53 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 40.49 44.23 3.11 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -152.78 168.27 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 94.1 m95 -111.09 144.3 40.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.61 154.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HD21 ' A' ' 93' ' ' LEU . 2.7 tt -122.65 146.92 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -138.3 126.81 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 3.6 t70 -85.84 105.15 16.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -70.62 59.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 36.28 36.87 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.555 ' OG ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 t -42.22 161.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -68.81 -59.4 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.27 173.91 13.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.573 ' OG1' HD23 ' A' ' 58' ' ' LEU . 12.0 m -115.36 149.2 38.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.423 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 84' ' ' ALA . 36.4 mt -123.23 141.85 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' SER . 8.8 tp -127.41 110.2 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER 66.83 -69.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -166.6 50.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -164.68 136.98 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.673 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -77.56 120.76 22.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 80' ' ' LEU . 58.8 mt -60.93 173.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.6 147.24 55.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.02 -37.9 1.81 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.451 1.764 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.29 23.56 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.5 m -144.79 149.38 35.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.7 p -125.76 124.18 40.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.6 t -106.6 147.52 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -88.7 114.87 25.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD21 ' HB ' ' A' ' 69' ' ' ILE . 76.3 mt -52.37 168.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.0 155.47 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.6 107.99 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.15 8.93 21.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' HB3' HD11 ' A' ' 80' ' ' LEU . 14.7 m-20 -81.73 120.87 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 t -93.27 112.51 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 80' ' ' LEU . 34.8 mt -93.01 105.94 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -97.34 104.76 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.21 168.68 13.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 68.21 -138.36 32.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -96.09 -56.25 2.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -137.83 38.79 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.3 m -103.63 123.2 46.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.723 ' HB2' HG23 ' A' ' 18' ' ' VAL . 19.3 m -126.4 130.23 50.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.476 HG21 HD22 ' A' ' 15' ' ' LEU . 25.0 mt -119.96 130.61 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 109' ' ' VAL . 5.6 tp -98.29 139.38 34.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.724 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.3 t -101.95 113.82 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 122.48 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -83.66 112.4 20.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.641 ' CG2' ' CB ' ' A' ' 12' ' ' SER . 19.4 m -91.33 137.44 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.5 78.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.98 176.02 24.55 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 178.25 7.49 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.5 p -178.32 138.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.021 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.91 129.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.08 138.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -164.27 169.7 17.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.34 125.59 3.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -153.29 157.41 40.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -89.07 132.82 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.7 -127.69 3.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -82.45 143.69 30.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.35 -10.67 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 31' ' ' PRO . 36.9 m -80.0 124.84 82.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.36 36.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -70.39 144.46 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -91.62 110.63 21.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -115.96 107.92 15.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 30.5 mt -89.45 122.21 32.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.21 125.07 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.544 ' CG ' ' HB3' ' A' ' 22' ' ' ARG . 57.9 m-85 -84.98 93.38 8.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 106' ' ' SER . 3.7 m -77.57 -29.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 106' ' ' SER . 10.9 mttt -134.86 -175.54 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 -169.42 40.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.97 -28.77 8.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.544 ' HB3' ' CG ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.02 -0.67 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.93 114.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 -7.37 28.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.05 153.04 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . . . -152.59 155.13 36.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 46' ' ' ILE . 1.5 mt -135.5 171.56 14.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -147.56 136.83 22.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -135.94 170.98 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -94.6 166.67 14.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HA ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.98 126.46 9.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.768 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.06 13.23 29.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -112.53 112.68 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 60' ' ' ILE . 93.5 m -71.09 113.74 8.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 46' ' ' ILE . 2.6 mp -95.56 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.06 107.21 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.614 ' CG2' HD12 ' A' ' 60' ' ' ILE . 19.0 t -94.67 114.87 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.64 -160.02 8.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -101.93 -56.5 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.725 HG12 HG22 ' A' ' 55' ' ' THR . 6.6 pt -74.3 128.62 36.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' O ' ' O ' ' A' ' 42' ' ' ARG . 22.1 m -42.49 -54.37 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' O ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER 33.98 -158.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.5 -4.8 89.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -56.92 160.63 3.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -59.62 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.587 HG12 HD13 ' A' ' 27' ' ' LEU . 44.3 mt -113.51 140.53 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 41' ' ' VAL . . . -138.33 132.33 31.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 17' ' ' PHE . 5.5 mt -129.86 119.56 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -91.92 72.73 5.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 25.8 t0 -111.57 9.93 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 50' ' ' ASP . . . 73.36 -59.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.84 -22.38 4.34 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.487 HD13 ' HB ' ' A' ' 48' ' ' ILE . 48.9 mt -96.59 139.01 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.57 163.6 12.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.725 HG22 HG12 ' A' ' 40' ' ' ILE . 22.5 p -42.09 -65.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.98 68.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.644 ' CD2' ' CB ' ' A' ' 74' ' ' SER . 3.7 t-160 -67.53 -63.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -157.43 170.5 22.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -137.25 139.02 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.614 HD12 ' CG2' ' A' ' 37' ' ' VAL . 12.5 mt -102.15 132.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.68 166.64 24.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.27 153.56 37.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -120.69 109.1 14.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.68 -83.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.4 24.14 3.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -128.84 159.81 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 13' ' ' LEU . 89.8 m95 -113.61 138.76 49.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.64 158.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 tt -123.53 142.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 90' ' ' SER . 3.9 tt0 -138.95 124.57 19.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 87' ' ' PRO . 30.1 t0 -84.83 106.31 16.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -70.56 60.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 72' ' ' LEU . . . 35.65 56.96 0.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.644 ' CB ' ' CD2' ' A' ' 57' ' ' HIS . 6.0 p -69.05 154.14 42.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.6 72.19 9.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 168.34 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.41 144.51 8.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.652 ' CG2' HD12 ' A' ' 85' ' ' LEU . 23.5 m -103.9 139.84 38.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 84' ' ' ALA . 27.9 mt -115.95 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 82' ' ' SER . 36.3 tp -126.33 109.57 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 61.4 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.6 m -148.53 60.65 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -175.61 142.06 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.761 ' HA ' HD23 ' A' ' 79' ' ' LEU . . . -85.87 124.19 32.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.652 HD12 ' CG2' ' A' ' 78' ' ' THR . 37.4 mt -67.04 172.38 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.64 152.43 77.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 18.1 Cg_endo -74.98 -35.91 2.88 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -93.77 27.3 2.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.7 m -146.76 146.2 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 95.1 p -126.4 128.18 46.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 t -110.63 157.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -96.82 124.03 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 93' ' ' LEU . 24.2 mt -63.81 164.95 9.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 109' ' ' VAL . . . -146.26 -168.1 13.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.9 116.85 32.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.21 22.08 30.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.19 121.86 28.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.87 123.64 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.404 HG12 HD13 ' A' ' 80' ' ' LEU . 18.7 mt -106.71 108.14 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -97.84 105.7 17.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 107' ' ' ILE . 0.8 OUTLIER -125.19 171.03 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.47 -127.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -102.89 -54.27 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -143.17 30.17 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -92.1 117.69 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.612 ' HB2' HG23 ' A' ' 18' ' ' VAL . 14.0 m -117.27 128.37 55.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.503 ' CD1' HD21 ' A' ' 101' ' ' LEU . 34.1 mt -114.84 142.95 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 109' ' ' VAL . 4.7 tp -109.24 142.33 40.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.683 ' N ' HD12 ' A' ' 108' ' ' LEU . 55.8 t -104.96 113.81 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 128.11 53.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -93.35 106.86 18.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.0 t -91.28 116.46 32.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.2 t -107.22 119.53 39.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.28 -176.98 51.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -43.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.39 132.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.2 t -174.66 -58.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 179.978 . . . . . . . . 0 0 . 1 stop_ save_