data_1wi2_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 1wi2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mm -116.32 112.55 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 95' ' ' VAL . 75.3 t -97.02 95.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -96.81 135.5 38.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -169.1 161.7 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 0.745 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.0 m-20 -111.68 169.77 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.376 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -132.28 139.37 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -123.81 172.43 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.956 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.7 mm -98.86 110.64 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 37.2 m-85 -120.8 164.4 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.5 mm -71.97 90.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 1.1 p -56.0 -59.92 4.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 46' ' ' SER . 28.4 ttpt -145.47 151.27 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.1 t -127.69 132.03 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mm -66.04 128.0 93.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 56.17 4.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.6 m-20 157.64 49.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.7 p -131.23 -175.71 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -69.41 -39.99 77.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -53.22 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -47.84 -33.65 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.8 -41.77 14.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.52 6.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.78 32.62 4.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.059 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.403 HD11 ' CG1' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -81.14 144.31 31.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -145.72 133.38 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -46.46 99.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.5 -34.12 1.52 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.5 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.491 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -65.37 142.48 58.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 12.2 t -100.24 97.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.57 -64.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.37 156.69 47.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 73' ' ' PHE . 53.0 t -129.52 113.14 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 11.9 m-80 57.93 48.05 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 12.2 t0 83.47 -50.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.64 131.28 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.03 144.19 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 68' ' ' VAL . 1.1 m-85 -116.1 29.37 8.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.42 -31.82 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -140.31 74.53 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 tt -139.97 156.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.37 155.12 41.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CD2' HD12 ' A' ' 33' ' ' ILE . 22.1 t-80 -63.41 -49.64 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -42.5 73.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -46.42 90.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -59.33 -38.08 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.32 -44.13 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.69 -59.93 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.92 -67.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.0 mt -41.0 -57.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' THR . 23.1 mttt -53.43 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' LYS . 67.4 p -37.79 -61.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.68 113.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.78 -47.1 74.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.95 128.39 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.2 mt -86.93 131.27 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 72.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.437 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.02 164.01 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.89 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 19' ' ' VAL . 10.0 m -117.34 162.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -159.39 154.79 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.224 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 12.9 p90 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.4 mm -116.37 115.72 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.4 95.96 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -95.19 133.02 39.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' CD1' ' CB ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -163.1 156.79 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.404 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 33.4 m-20 -107.72 143.81 35.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.553 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -107.92 147.39 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -139.99 177.95 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 44' ' ' PHE . 31.1 mm -101.65 139.53 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' ILE . 47.2 m-85 -145.24 161.08 40.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 5.1 mm -71.87 102.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -64.9 -58.68 5.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.907 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 154.38 41.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 76.2 t -132.34 138.35 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.5 mm -66.35 124.87 89.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.95 56.65 4.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 155.66 45.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.1 p -127.35 -172.89 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.67 -34.36 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.94 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.41 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -53.03 -41.41 64.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.594 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.69 -43.94 29.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 21' ' ' LEU . . . -45.45 -29.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 25.59 4.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.2 mt -82.69 143.6 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -142.76 146.72 34.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.17 103.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.11 35.87 0.91 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.145 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.36 118.73 37.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.91 127.44 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 68' ' ' VAL . 60.1 t -97.04 98.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.44 -65.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 154.37 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 32.7 t -126.24 119.8 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 8.8 m-80 59.63 28.22 17.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER 77.87 23.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.65 122.87 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.55 111.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -97.74 -24.65 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.5 -28.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' PHE . 77.4 m-20 -138.33 73.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.52 HG22 ' CG ' ' A' ' 73' ' ' PHE . 3.4 tt -136.36 162.25 35.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -89.66 140.79 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CD2' HD12 ' A' ' 33' ' ' ILE . 24.7 t-80 -47.89 -59.52 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.546 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 -47.89 23.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -46.32 90.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.41 -53.01 61.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.85 -49.3 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.1 mt-10 -58.81 -62.52 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' GLU . 79.0 mt -39.95 -61.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.61 -61.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -47.82 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.4 p -38.55 -63.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.38 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.402 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . . . -42.85 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -52.77 -38.78 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 6.4 pt-20 -123.31 126.96 47.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.7 mt -86.41 124.47 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.21 70.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.474 ' SD ' ' CG1' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -98.07 167.07 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 ttt180 -111.75 119.11 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.9 m -115.88 166.6 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.204 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 130.44 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 40.8 p90 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.1 mm -108.98 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.25 96.99 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -96.57 139.8 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -163.07 160.77 24.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.543 0.79 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -103.87 156.89 17.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.358 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.6 pp -124.36 131.69 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -124.57 174.75 7.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 35.3 mm -91.11 133.89 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.6 155.94 49.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.1 mm -69.25 90.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -58.88 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.35 158.58 43.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 95.4 t -133.91 131.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.06 126.37 92.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.01 54.76 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 163.71 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.8 p -126.0 -171.49 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.96 -39.85 49.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.6 98.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.422 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 6.7 t-160 -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -89.4 -34.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -18.74 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 29.81 6.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.44 143.39 31.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -145.8 137.3 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.17 100.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.58 44.92 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.91 107.8 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.67 126.52 29.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -91.38 100.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -62.91 -64.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -133.01 167.95 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 3.7 t -141.28 126.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 15.5 m-80 44.52 48.06 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.9 t0 82.51 -51.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.28 134.67 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.08 145.24 40.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -117.3 -8.7 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -49.58 -23.87 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -149.65 68.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.8 tt -128.15 156.5 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.6 143.82 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 17.1 t-80 -51.74 -57.36 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -40.87 71.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -43.85 98.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.431 HG23 ' CG1' ' A' ' 33' ' ' ILE . 53.6 t -66.82 -45.46 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -62.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 30.8 mt -40.99 -67.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.1 mt -40.99 -66.6 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -44.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.1 p -37.89 -59.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.78 108.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 9.9 ptp180 -52.33 -39.08 60.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 10.1 pt-20 -121.73 125.97 47.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.3 mt -83.46 140.48 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 8.8 t -148.15 77.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.476 ' CB ' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -108.33 148.24 30.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.6 ttt180 -103.6 108.99 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.24 163.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -158.5 136.72 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.18 135.58 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.432 ' CG2' HG22 ' A' ' 95' ' ' VAL . 15.0 t -121.44 96.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -94.25 127.69 40.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.454 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -164.06 167.21 20.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -119.08 146.35 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 81' ' ' ALA . 1.4 pt -104.87 155.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -154.67 159.9 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.396 1.06 . . . . 0.0 111.071 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.86 137.53 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -141.4 150.08 41.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.525 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 9.2 mm -62.89 94.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.81 -58.62 7.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 46' ' ' SER . 26.5 ttpt -145.7 151.77 38.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.525 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 59.2 t -130.94 134.15 62.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.97 124.14 86.91 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.394 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.97 58.75 4.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.8 m-20 156.07 45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -127.4 -171.57 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.77 -32.4 57.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.83 71.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -53.25 -26.11 16.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -98.73 -32.09 11.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.86 37.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 34.15 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.403 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -91.34 144.2 25.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.43 139.89 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.77 104.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.15 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.86 111.95 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.13 125.09 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.66 95.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.65 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.69 165.8 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 50.6 t -137.64 108.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 43.9 m-80 58.69 47.0 13.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.2 t0 83.93 -50.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -54.08 122.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.53 130.4 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -97.25 -9.91 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -47.17 -26.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -150.41 82.8 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 84' ' ' ILE . 2.9 tt -143.31 161.71 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.51 147.27 30.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.33 -61.98 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -39.31 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -50.45 67.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -55.96 -42.22 75.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.067 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.91 -47.94 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -61.53 -56.58 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 76' ' ' ILE . 94.0 mt -41.12 -57.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.4 mt -48.99 -63.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 21.1 mttt -51.53 -69.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.1 p -38.7 -42.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.99 106.71 3.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 5.5 ptp180 -45.34 -50.56 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 4.4 pt-20 -118.05 129.69 55.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 20' ' ' THR . 5.2 mt -83.31 149.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 63.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.402 ' SD ' ' CG1' ' A' ' 95' ' ' VAL . 1.7 ptp -94.56 160.54 14.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -109.94 112.31 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.432 HG22 ' CG2' ' A' ' 19' ' ' VAL . 33.3 m -109.39 173.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -162.64 153.34 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mm -108.52 109.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 59' ' ' LEU . 51.6 t -92.69 97.47 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -94.66 133.56 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 54' ' ' ALA . 5.9 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -166.93 163.28 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -117.44 157.28 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.503 ' CD1' ' CB ' ' A' ' 81' ' ' ALA . 1.2 pt -113.3 152.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -149.08 159.1 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' CD2' ' A' ' 73' ' ' PHE . 33.0 mm -100.61 146.47 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -149.97 140.39 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.3 mm -56.81 104.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -62.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -141.13 146.31 36.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 65.4 t -130.69 129.52 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 5.7 mm -65.88 130.33 94.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 49' ' ' ILE . 18.3 Cg_endo -74.94 53.51 3.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 163.57 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -179.26 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.21 -36.54 71.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 59' ' ' LEU . . . -66.96 -44.91 79.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 8.6 t-160 -54.69 -30.24 55.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -91.91 -29.69 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.74 72.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.09 34.41 1.14 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 54' ' ' ALA . 1.6 mp -91.02 140.71 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -148.59 138.85 22.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.49 103.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.0 -18.9 3.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.16 116.03 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 11.5 tt0 -77.27 147.2 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 21.7 t -107.53 98.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.88 -65.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.99 159.36 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 40.8 t -135.68 107.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 54.9 m-80 58.95 51.9 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.0 t0 81.84 -52.98 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.08 126.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.69 152.67 43.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -124.89 23.52 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -28.92 31.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 1.5 p-10 -149.74 85.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.5 tt -149.65 157.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.96 145.63 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 3.7 t-80 -61.15 -50.76 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.202 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -33.36 66.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.49 -52.58 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -48.98 -45.74 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.7 -63.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.71 -50.9 31.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.5 mt -43.51 -54.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -55.88 -53.64 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -52.31 -61.53 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -57.33 -21.92 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.9 93.68 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.36 -39.7 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.02 125.63 44.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.89 141.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.63 61.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.414 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 1.8 ptp -91.85 161.31 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -112.9 110.25 20.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.411 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.7 m -105.25 165.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -163.81 127.36 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.3 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mm -110.14 144.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 59' ' ' LEU . 26.5 t -135.7 95.88 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.29 128.73 34.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -150.16 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -114.03 136.91 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -105.96 152.06 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -148.7 174.38 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 HG13 ' CD2' ' A' ' 73' ' ' PHE . 13.3 mm -93.13 122.08 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 49.1 m-85 -133.19 146.4 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.3 mm -60.48 85.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -50.5 -59.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.92 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 74.7 t -132.94 133.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.7 128.05 93.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.06 56.49 4.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.6 m-20 154.97 50.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -133.75 -176.36 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.3 m-20 -68.47 -37.57 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -61.89 -52.09 65.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -48.52 -27.96 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -95.78 -31.1 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -59.44 -22.51 61.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.12 18.39 17.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 142.28 55.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.241 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -141.94 130.49 22.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -47.25 105.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.54 2.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.606 1.191 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -52.14 102.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.3 tt0 -66.31 126.41 28.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -84.44 88.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 66' ' ' LEU . 4.1 mm? -49.32 -67.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.65 158.97 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 86.9 t -125.71 122.88 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m-80 54.72 29.42 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 78.22 27.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.63 121.48 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 2.5 p30 -57.46 114.48 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -103.48 -15.53 15.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -41.88 -28.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.1 t0 -150.76 93.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.0 tt -150.83 158.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.44 133.96 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CD2' HD12 ' A' ' 33' ' ' ILE . 38.5 t-80 -43.75 -56.69 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.36 -53.91 15.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.93 17.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -47.17 -51.16 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.88 -57.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -47.97 -58.45 4.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' ALA . 10.8 mt -41.0 -67.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.98 -54.75 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -52.58 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.387 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -52.05 -20.49 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -88.02 107.55 18.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 2.8 ptp180 -50.37 -51.11 48.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.28 126.78 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 57.7 mt -89.93 123.61 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.58 68.11 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.34 163.92 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.24 133.82 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' ARG . 29.7 m -128.13 172.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.97 144.95 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' CG ' HG23 ' A' ' 95' ' ' VAL . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HD12 ' NE ' ' A' ' 94' ' ' ARG . 4.0 mm -111.93 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.5 t -92.67 96.19 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 1.9 m -98.35 134.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 36.3 p90 -163.28 153.2 15.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' LYS . 31.3 m-20 -106.22 164.1 12.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 78' ' ' HIS . 1.0 OUTLIER -128.13 138.77 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 27.0 ptt85 -127.85 162.03 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.553 HG13 ' CD2' ' A' ' 73' ' ' PHE . 29.0 mm -128.21 110.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -118.47 150.39 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.8 mm -68.14 91.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -56.91 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -146.87 135.93 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 142.93 38.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 49' ' ' ILE . 5.6 mm -66.15 120.86 73.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.07 51.83 2.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 22.8 t0 173.2 39.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -132.69 171.75 13.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.87 -40.72 61.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 59' ' ' LEU . . . -60.48 -71.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 50' ' ' PRO . 9.1 t-80 -42.61 -48.35 5.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.584 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -38.34 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ALA . . . -57.62 -21.04 37.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.14 27.44 3.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 45' ' ' ILE . 3.1 mp -79.28 141.37 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -150.93 134.03 16.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.71 100.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.63 41.1 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -116.81 103.86 10.75 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.567 0.804 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.41 139.56 58.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG12 ' CG2' ' A' ' 68' ' ' VAL . 94.5 t -103.34 88.65 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.77 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 156.81 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 73' ' ' PHE . 40.3 t -125.89 108.02 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 45.8 m-80 60.3 45.72 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.7 t0 85.2 -47.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.91 128.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -73.94 138.68 44.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD2' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -112.9 -7.41 13.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.75 -25.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -148.67 78.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 73' ' ' PHE . 3.5 tt -133.88 160.08 42.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.01 145.13 30.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.548 ' CD2' HD11 ' A' ' 33' ' ' ILE . 41.0 t-80 -52.05 -64.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.33 -40.53 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -51.85 67.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -55.06 -49.98 70.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.7 t -58.7 -49.45 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ILE . 3.5 mt-10 -60.06 -60.31 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 58.7 mt -40.4 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.3 mt -43.08 -49.45 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -62.16 -72.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -39.61 -57.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.43 108.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.63 -34.57 71.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -125.72 129.97 50.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 20' ' ' THR . 17.6 mt -95.47 139.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.85 68.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.406 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -94.5 168.0 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' NE ' HD12 ' A' ' 18' ' ' ILE . 4.7 mtt180 -112.16 108.0 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.412 HG23 ' CG ' ' A' ' 17' ' ' ARG . 35.2 m -106.05 169.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -164.12 137.83 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 19.3 p90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 HD13 ' CG ' ' A' ' 94' ' ' ARG . 5.4 mm -108.2 112.01 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 95' ' ' VAL . 59.2 t -94.68 103.45 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.73 127.05 40.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 4.9 p90 -151.58 158.89 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.594 0.82 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.418 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 68.4 m-20 -108.89 142.26 39.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.533 HD13 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -109.25 156.99 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -156.24 176.43 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 73' ' ' PHE . 21.2 mm -89.86 123.91 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 27.2 m-85 -126.9 147.86 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.2 80.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -45.7 -62.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 160.65 41.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG13 ' CD2' ' A' ' 55' ' ' HIS . 71.5 t -130.24 137.46 56.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.457 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 29.1 mm -67.81 125.85 91.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.575 1.829 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 154.26 48.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p -138.31 171.9 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ALA . 23.7 m-20 -63.66 -28.03 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.95 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -86.24 -24.04 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.634 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.07 -23.55 16.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 56' ' ' ARG . . . -62.83 -46.41 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.25 44.65 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -102.29 141.69 34.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -137.35 134.63 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -49.09 103.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.51 -20.11 3.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -65.85 130.1 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 3.6 tt0 -96.81 133.29 41.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 68' ' ' VAL . 4.3 t -89.18 105.24 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.59 -63.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.41 156.7 47.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 73' ' ' PHE . 39.4 t -132.97 105.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 27.2 m-80 58.89 49.57 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.2 t70 83.06 -50.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.93 134.98 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.97 151.79 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -130.86 27.92 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.02 -22.99 36.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -157.2 91.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' CD1' ' A' ' 84' ' ' ILE . 16.3 tt -148.49 159.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -74.43 132.84 42.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CD2' HD13 ' A' ' 33' ' ' ILE . 23.6 t-80 -41.82 -60.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.83 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -54.94 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -46.81 -50.32 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.45 -48.27 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -57.04 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.406 ' CD1' HD12 ' A' ' 76' ' ' ILE . 91.8 mt -43.17 -65.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -42.59 -46.0 4.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.81 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -48.06 -23.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.52 102.31 13.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -43.89 -50.86 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.77 126.83 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -84.63 125.07 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 77.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.11 170.36 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.406 ' CG ' HD13 ' A' ' 18' ' ' ILE . 9.1 ttt180 -117.32 121.06 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 19' ' ' VAL . 18.7 m -114.49 166.8 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -164.3 128.28 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.5 ptp180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.0 mm -116.59 135.22 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.68 95.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.419 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -98.1 129.38 44.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 54' ' ' ALA . 6.0 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -160.38 162.97 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' SER . 27.1 m-20 -112.57 144.37 42.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -112.2 145.94 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -151.43 173.85 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' CD2' ' A' ' 73' ' ' PHE . 47.9 mm -98.47 140.14 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 43' ' ' ILE . 30.1 m-85 -143.58 150.61 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.7 mm -66.2 81.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -44.94 -56.9 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.955 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 161.49 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 53.2 t -133.55 136.4 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 mm -66.09 124.17 87.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.0 56.25 4.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER 158.88 44.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -127.81 -173.53 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 25.7 m-20 -76.12 -34.59 59.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -65.37 -38.84 91.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -61.03 -28.61 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -93.66 -38.78 11.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.29 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.4 23.08 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.19 138.8 38.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 0.75 . . . . 0.0 109.339 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 149.25 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.78 112.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.52 -2.12 8.15 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.03 105.01 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -70.68 132.46 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 HG21 ' CE ' ' A' ' 93' ' ' MET . 77.5 t -95.27 102.49 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.63 -64.22 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 163.02 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 73' ' ' PHE . 63.7 t -137.53 105.51 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 20.9 m-80 56.8 53.13 8.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.0 t0 82.17 -52.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -53.78 125.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.4 136.26 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 68' ' ' VAL . 1.3 m-85 -102.97 -7.43 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -47.81 -26.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.43 71.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -131.58 156.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.48 146.29 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CD2' HD12 ' A' ' 33' ' ' ILE . 43.8 t-80 -54.28 -55.55 27.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -34.09 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.186 . . . . 0.0 110.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' CG ' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -70.65 -47.21 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -57.12 -49.0 77.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.56 -59.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -51.39 -60.4 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 80' ' ' LYS . 69.9 mt -39.75 -68.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.2 mt -40.49 -59.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' THR . 3.4 mtpm? -51.41 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.343 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' LYS . 10.3 p -38.07 -34.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.35 99.96 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 6.0 ptp180 -45.11 -45.15 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 5.6 pt-20 -121.31 128.37 52.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 92' ' ' SER . 34.0 mt -86.81 138.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -154.66 65.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.462 ' CE ' HG21 ' A' ' 65' ' ' VAL . 1.2 ptp -94.29 156.07 16.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.1 ttt180 -101.06 118.09 36.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.449 HG21 ' CG ' ' A' ' 17' ' ' ARG . 29.5 m -117.68 158.9 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -152.08 139.69 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.2 mp -100.63 124.04 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 59' ' ' LEU . 73.2 t -98.81 95.11 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -97.82 134.18 41.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -162.9 157.95 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -114.95 155.31 27.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -114.22 155.17 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . 8.1 ptt180 -158.05 175.85 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.532 HG13 ' CD2' ' A' ' 73' ' ' PHE . 46.1 mm -93.12 141.04 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 0.798 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -136.98 134.27 36.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -50.73 107.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.474 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.47 -57.86 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.08 147.26 31.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 51.7 t -132.09 127.33 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.11 125.79 90.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.064 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 14.1 t0 172.7 40.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.8 p -130.76 170.7 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 16.6 m-20 -61.45 -30.99 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' CB ' HD22 ' A' ' 59' ' ' LEU . . . -67.99 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -42.34 -50.16 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.63 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -48.35 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . -43.54 -29.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.91 34.77 1.11 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -90.83 141.7 28.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -149.57 133.83 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -44.82 107.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.91 -45.36 1.04 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.55 115.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 6.6 tt0 -80.9 143.43 32.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' A' ' 68' ' ' VAL . 15.4 t -102.93 100.41 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.51 151.3 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 73' ' ' PHE . 55.5 t -124.6 107.03 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 66.1 m-20 55.04 52.2 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.0 t0 83.42 -51.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -54.08 120.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.34 134.75 42.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.082 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD2' HG21 ' A' ' 68' ' ' VAL . 1.5 m-85 -103.4 -7.71 20.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -44.64 -35.53 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 89.18 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 84' ' ' ILE . 15.4 tt -150.69 158.02 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -75.1 149.24 39.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.506 ' CD2' HD12 ' A' ' 33' ' ' ILE . 36.7 t-80 -56.55 -45.36 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -57.82 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.78 -57.52 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -49.86 -54.86 16.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.0 t -54.47 -54.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.7 mt-10 -54.42 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 76' ' ' ILE . 14.2 mt -40.27 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.1 mt -39.68 -53.11 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -57.07 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.3 p -38.32 -61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.5 107.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -55.46 -35.08 65.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.04 129.28 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.09 141.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.37 74.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.455 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.17 159.85 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.66 128.1 42.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.412 HG23 ' CG2' ' A' ' 19' ' ' VAL . 17.3 m -131.69 155.53 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.376 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.76 141.8 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' VAL . 5.7 ptp180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 1.8 mm -102.89 152.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.226 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG1' HD13 ' A' ' 59' ' ' LEU . 63.7 t -139.39 95.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -101.08 135.35 42.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CB ' HD13 ' A' ' 91' ' ' ILE . 1.2 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -159.71 159.87 33.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 19.9 m-80 -115.11 164.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.3 pp -124.6 146.7 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.418 1.074 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -138.06 169.87 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 23.4 mm -92.4 149.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 56.8 m-85 -152.91 139.99 19.29 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.4 mm -50.41 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -66.66 -58.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -145.14 153.9 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 88.6 t -134.23 132.19 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.97 125.22 89.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 59.39 5.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 155.86 45.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -127.19 -170.66 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.24 -31.76 38.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.06 74.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -52.1 -47.76 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -39.15 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.35 -30.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.12 31.29 2.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD13 ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -88.09 143.1 27.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.743 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -146.46 139.19 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.91 107.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 -25.84 4.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 107.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.552 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 1.9 tt0 -67.68 131.19 45.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 73' ' ' PHE . 94.0 t -90.14 93.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 66' ' ' LEU . 2.9 mm? -55.99 -66.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.39 147.26 32.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 73' ' ' PHE . 69.0 t -119.55 114.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.2 m-80 59.69 42.79 16.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.43 -44.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.98 124.98 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -72.01 125.77 28.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -100.63 7.55 43.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.79 -9.86 56.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -165.93 76.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 73' ' ' PHE . 12.4 tt -141.18 154.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.44 159.17 24.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 19.9 t-80 -72.76 -51.7 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -35.02 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -44.59 35.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -60.2 -24.41 64.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -84.53 -63.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 84' ' ' ILE . 9.7 pt-20 -44.91 -48.84 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 12.2 mt -45.32 -56.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.77 -35.03 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' THR . 19.4 mttt -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' LYS . 6.8 t -36.66 -40.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ILE . . . -60.35 95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 5.2 ptp180 -45.44 -42.75 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.2 pt-20 -124.61 125.4 44.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 21' ' ' LEU . 6.9 mt -84.44 150.62 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.37 60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 110.034 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.501 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . 3.5 ptp -91.96 165.26 13.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.6 mtt180 -108.57 128.29 54.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.329 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' ARG . 34.4 m -124.65 174.07 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.55 155.45 41.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 95' ' ' VAL . 2.4 ptt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.2 mm -113.58 115.29 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.89 96.13 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -96.68 135.07 39.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.361 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -164.07 158.28 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 0.726 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.3 m-20 -109.05 139.58 43.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.531 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -106.33 132.89 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -129.79 170.59 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 33.0 mm -89.89 147.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 43' ' ' ILE . 39.4 m-85 -149.45 161.3 42.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.1 mm -76.19 97.63 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -58.44 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -146.01 152.9 40.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.8 t -129.87 132.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.15 125.03 89.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.09 56.07 4.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 161.0 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.1 p -125.79 -170.22 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -78.41 -38.92 40.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.37 93.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -48.58 -44.63 36.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.54 -40.87 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.49 -31.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.37 29.79 2.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.66 151.97 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -163.24 145.66 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.38 103.49 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.28 43.88 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.67 100.22 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.93 128.81 37.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.33 107.76 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' A' ' 95' ' ' VAL . 2.2 mm? -67.69 -62.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.91 161.5 37.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 73.0 t -135.82 105.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 14.1 m-80 61.33 52.32 3.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.0 t0 82.04 -52.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 109.245 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.79 134.45 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.95 154.76 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -126.2 12.39 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.47 -28.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 79.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 9.1 tt -137.22 153.72 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.48 139.35 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 21.6 t-80 -54.29 -58.77 6.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -45.17 -40.9 7.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.97 -56.42 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -43.09 -49.36 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.0 -57.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -52.37 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ALA . 95.7 mt -47.84 -70.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.49 -44.57 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -61.98 -69.82 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 p -49.02 -22.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -87.31 102.46 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -38.42 39.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -121.57 125.03 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CG2' ' SD ' ' A' ' 93' ' ' MET . 60.0 mt -86.87 120.66 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.49 72.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.41 ' SD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -99.88 169.04 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.8 mtt180 -112.91 138.32 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.538 ' HA ' ' CD2' ' A' ' 66' ' ' LEU . 19.5 m -133.47 167.39 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -157.01 151.2 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 8.2 mm -102.12 136.62 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 59' ' ' LEU . 55.6 t -120.75 95.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -102.2 128.41 48.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -147.38 161.07 41.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 11.9 m-80 -108.99 128.68 55.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.569 HD11 ' CD2' ' A' ' 78' ' ' HIS . 1.2 pp -100.31 138.18 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -137.26 175.19 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.78 139.18 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' SER . 46.8 m-85 -146.45 145.81 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.463 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.2 mm -61.34 85.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -48.68 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 164.21 33.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG12 ' CD2' ' A' ' 55' ' ' HIS . 54.8 t -131.04 133.98 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.11 123.6 85.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.11 55.08 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 160.61 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -130.5 -168.97 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.56 -27.67 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . . . -64.1 -48.29 76.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -47.83 -42.97 27.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.622 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -40.53 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.65 -37.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.28 27.69 3.05 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 45' ' ' ILE . 29.2 mt -84.04 151.35 25.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 0.698 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -142.84 137.91 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.62 103.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.07 0.79 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.22 112.42 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 130.49 43.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.523 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 75.7 t -96.56 91.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.78 -67.3 0.3 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.6 139.52 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG23 ' CE2' ' A' ' 73' ' ' PHE . 81.3 t -107.96 112.36 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 42.5 m-20 60.7 41.2 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.6 t70 87.31 -42.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' VAL . 52.0 t -55.9 128.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.23 130.73 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE2' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -107.88 -8.13 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.63 -31.05 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -144.2 76.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.5 tt -135.04 158.0 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.8 146.36 29.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CD2' HD11 ' A' ' 33' ' ' ILE . 13.4 t-80 -52.48 -59.75 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -45.43 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -43.19 84.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.47 94.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 33' ' ' ILE . 88.4 t -62.03 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.82 -60.36 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -41.89 -68.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 mt -40.86 -56.7 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ALA . 8.0 mttm -53.23 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.3 p -37.41 -32.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' LYS . . . -80.78 118.68 22.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 29.0 ptt-85 -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.1 pt-20 -111.37 125.68 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.26 124.05 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.61 88.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.516 ' SD ' ' CG1' ' A' ' 65' ' ' VAL . 16.9 ptp -106.78 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.496 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 5.5 ttt180 -112.44 108.96 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG23 ' CG2' ' A' ' 19' ' ' VAL . 22.5 m -111.45 158.34 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -154.91 139.82 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -111.34 112.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' CG2' HG23 ' A' ' 95' ' ' VAL . 22.4 t -92.15 95.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -99.5 135.36 41.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -168.34 160.73 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -117.53 146.94 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.538 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -104.78 156.55 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 7.4 ptt180 -159.46 173.02 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.16 126.07 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.58 0.812 . . . . 0.0 109.395 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -125.74 152.51 45.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 48' ' ' VAL . 4.9 mm -67.49 111.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.489 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -75.43 -57.97 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.65 146.39 30.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.573 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 24.3 t -128.55 131.56 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.79 126.06 91.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.0 Cg_endo -75.08 58.04 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 156.67 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.0 p -125.32 -171.41 2.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 110.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.54 -30.7 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -71.44 -43.19 67.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -54.5 -44.51 72.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -46.09 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.71 -35.29 2.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.54 34.75 1.05 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' A' ' 54' ' ' ALA . 14.6 mt -94.45 137.44 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 0.839 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -143.27 138.15 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 113.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.59 -23.14 5.42 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.86 127.81 32.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.34 0.67 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 16.4 tt0 -85.46 149.53 25.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 30.1 t -109.5 93.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 mt -55.61 -66.56 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.43 163.65 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 66.9 t -132.27 105.53 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 62.4 m-80 56.78 49.32 14.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.46 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.6 127.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.49 136.76 39.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -109.63 -19.91 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -41.08 -33.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.16 79.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 84' ' ' ILE . 3.8 tt -141.15 161.47 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -80.81 142.48 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.538 ' CD2' HD12 ' A' ' 33' ' ' ILE . 42.8 t-80 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -40.2 48.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -54.05 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -49.1 -46.72 45.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -62.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.59 -53.86 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 76' ' ' ILE . 37.5 mt -40.38 -60.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.78 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mppp? -43.15 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 84' ' ' ILE . 81.4 p -41.05 -48.38 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 104.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -48.76 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -119.71 129.06 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -83.59 124.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.56 73.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.505 ' SD ' ' CG1' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -99.79 161.61 13.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.7 ttp180 -107.65 113.93 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.505 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 32.7 m -111.99 166.09 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -155.2 129.39 8.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 5.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.3 mm -119.37 117.45 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.71 100.3 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -98.14 128.34 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -167.94 159.71 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 17.6 m-20 -112.17 141.08 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.0 OUTLIER -103.48 152.72 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -156.55 151.03 25.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 73' ' ' PHE . 18.4 mm -87.0 127.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -137.11 128.84 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.426 HD13 ' CD2' ' A' ' 59' ' ' LEU . 25.3 mm -45.63 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.5 -62.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HE3' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -146.14 153.27 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.229 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.53 135.16 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.463 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 7.8 mm -66.31 126.94 92.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 56.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 156.43 46.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.0 p -125.36 -176.73 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.45 -30.75 63.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.71 -38.97 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -62.49 -29.51 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.679 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -85.72 -37.74 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.18 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.63 26.27 3.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 45' ' ' ILE . 13.0 mt -82.16 137.04 35.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.62 146.88 34.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.78 109.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.54 -24.5 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.08 97.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.52 127.0 30.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG13 ' CG2' ' A' ' 68' ' ' VAL . 19.4 t -88.09 94.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.54 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.13 161.22 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.579 HG21 ' CD2' ' A' ' 73' ' ' PHE . 53.9 t -134.26 107.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 31.5 m-20 51.87 53.52 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.5 t0 82.8 -51.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.2 t -53.98 120.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -76.91 131.77 38.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' HG21 ' A' ' 68' ' ' VAL . 1.3 m-30 -98.23 -4.33 35.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.3 -33.89 21.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -142.81 80.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 4.0 tt -144.57 157.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.78 151.72 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 9.2 t-80 -60.82 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 93.7 p -47.66 -23.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 78' ' ' HIS . 1.4 tptt -80.85 -50.58 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.545 ' CB ' ' CE2' ' A' ' 73' ' ' PHE . . . -61.39 -50.82 71.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 79' ' ' SER . 7.4 p -54.98 -54.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 23.1 mt-10 -54.62 -56.37 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.3 mt -38.35 -57.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 91' ' ' ILE . 74.4 mt -49.37 -67.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -47.32 -71.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LYS . 69.1 p -38.19 -56.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 132.14 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -42.61 75.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.06 127.51 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 85' ' ' LEU . 6.1 mt -90.73 126.07 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.44 77.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.9 163.08 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.2 ttt180 -107.15 125.77 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.0 m -121.27 158.58 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -158.3 151.56 23.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.8 p90 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -103.02 109.3 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.55 95.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.2 129.22 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.05 157.25 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.426 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 29.8 m-80 -103.07 150.92 23.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -117.44 158.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -159.59 174.38 14.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.405 1.065 . . . . 0.0 111.017 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.9 mm -81.65 136.27 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -134.14 164.52 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.8 mm -80.86 87.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -52.45 -60.69 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 157.14 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 80.2 t -134.05 135.38 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.419 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.0 mm -66.83 128.9 94.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.95 55.12 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER 154.67 50.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 p -128.43 -177.03 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ALA . 3.8 m-20 -71.71 -32.3 67.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -54.5 24.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 1.2 t-160 -46.64 -35.26 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -39.5 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -51.07 -30.58 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.31 38.29 1.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.409 1.068 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -95.79 144.12 26.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -146.65 133.61 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -46.01 115.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.98 54.08 0.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.83 108.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.23 132.64 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 93' ' ' MET . 99.0 t -104.12 93.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.38 -67.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -129.71 170.03 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.576 HG23 ' CE2' ' A' ' 73' ' ' PHE . 2.5 t -141.27 107.33 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 81.22 -51.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.188 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.01 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.39 157.77 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.81 126.75 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -101.57 33.54 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -88.5 -15.89 34.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -164.06 72.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.5 tt -125.11 162.3 27.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.65 144.08 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CD2' HD12 ' A' ' 33' ' ' ILE . 32.0 t-80 -51.95 -64.51 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.638 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 -47.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.41 -54.6 41.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -51.9 -39.95 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 33' ' ' ILE . 4.8 t -72.51 -25.93 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.0 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -42.55 -57.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.6 mt -46.8 -62.63 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -45.43 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 p -39.16 -71.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.87 109.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 11.1 ptm180 -50.93 -39.17 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.4 pt-20 -121.11 125.9 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 mt -87.91 121.19 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -123.83 78.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.477 ' CE ' HG21 ' A' ' 65' ' ' VAL . 1.2 ptp -99.66 137.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.2 ttp180 -99.71 103.97 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 23.3 m -102.5 163.81 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -156.55 139.19 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' CG ' HG21 ' A' ' 95' ' ' VAL . 15.5 ptp180 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mm -120.17 125.92 74.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.452 ' CG2' HG23 ' A' ' 95' ' ' VAL . 84.9 t -112.36 96.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -95.0 135.46 36.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 4.5 p90 -162.71 159.07 23.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 35.0 m-80 -114.77 147.91 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -111.91 150.41 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -150.35 171.04 17.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.92 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.73 139.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 86.4 m-85 -138.97 144.46 38.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.9 mm -63.65 89.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.57 -61.72 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -144.42 162.68 35.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.432 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 75.2 t -134.69 125.81 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.94 125.88 90.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' PRO . 5.7 p-10 166.71 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.4 p -128.14 -168.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.41 -35.88 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -64.83 -39.03 92.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.401 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 19.0 t-160 -55.59 -43.27 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.7 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 -33.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.49 23.38 4.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 19' ' ' VAL . 11.3 mt -77.67 139.28 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -132.92 143.32 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.18 101.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.76 40.16 0.54 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.2 104.91 12.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 0.791 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.35 129.81 41.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 68' ' ' VAL . 57.8 t -95.77 100.22 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.5 mt -56.75 -64.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.79 161.61 35.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 73' ' ' PHE . 55.4 t -134.32 105.26 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 29.4 m-80 57.59 52.49 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.8 t70 81.93 -53.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -54.18 125.62 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.35 145.53 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' HG22 ' A' ' 68' ' ' VAL . 1.1 m-85 -114.52 -12.37 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.39 -26.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PHE . 35.7 t0 -147.25 71.39 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.8 tt -127.67 156.36 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -81.4 138.32 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.2 t-80 -44.67 -59.81 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.94 -49.88 38.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.385 1.053 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . . . -47.8 -52.21 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -55.94 -44.07 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -65.08 -61.75 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' GLU . 46.0 mt -40.54 -65.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -63.57 -74.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.6 p -38.42 -56.5 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.83 107.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -40.8 46.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -122.32 130.52 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.99 129.72 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 68.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.404 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.21 170.13 10.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -110.26 137.56 47.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.452 HG23 ' CG2' ' A' ' 19' ' ' VAL . 17.3 m -135.88 161.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -161.89 137.92 7.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.363 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -108.21 110.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 38.5 t -100.71 96.96 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 138.16 31.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 7.8 p90 -158.35 159.84 36.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -108.6 151.37 26.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.6 pp -118.45 143.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -146.86 176.76 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.7 mm -91.1 133.81 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 22.9 m-85 -132.14 160.43 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 15.1 mm -71.94 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 159.34 43.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 67.3 t -133.96 130.82 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.5 127.14 93.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 55.38 3.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER 162.86 43.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 p -125.82 -175.41 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.82 -34.9 57.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.02 86.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.73 -38.98 73.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.547 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -43.69 14.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.32 -36.04 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.55 38.42 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD1' ' CG1' ' A' ' 19' ' ' VAL . 4.3 mp -94.25 142.71 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -144.32 138.71 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.25 104.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.1 -40.07 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -48.13 139.32 8.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.578 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 4.8 tt0 -104.56 139.71 39.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 68' ' ' VAL . 25.1 t -96.8 104.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.79 -63.03 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.49 157.95 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 73' ' ' PHE . 83.7 t -136.85 109.98 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.4 33.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.93 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.2 t -112.17 136.76 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.78 115.23 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -101.91 -16.37 16.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -42.35 -27.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.9 m-20 -146.16 79.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.2 tt -136.26 153.64 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -74.74 141.15 44.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.423 ' CD2' HD11 ' A' ' 33' ' ' ILE . 32.1 t-80 -46.16 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.94 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' CG ' HD11 ' A' ' 84' ' ' ILE . 0.9 OUTLIER -53.84 -48.7 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.99 -43.9 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.04 -49.04 85.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.69 -59.17 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.211 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 80' ' ' LYS . 38.6 mt -41.29 -64.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.19 -48.91 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -60.59 -71.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ARG . 81.9 p -40.67 -63.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.83 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -39.19 -51.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.54 128.26 55.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.2 mt -83.66 127.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.35 73.8 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.11 160.34 14.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -108.91 113.99 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 m -108.24 161.48 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -148.91 139.3 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.1 mm -109.57 107.95 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.0 t -95.23 96.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -87.84 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -146.72 162.63 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 0.806 . . . . 0.0 110.942 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' SER . 40.3 m-80 -112.16 133.55 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.9 pt -103.11 150.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -156.14 174.25 15.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.42 132.09 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 74.9 m-85 -135.55 150.29 49.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 59' ' ' LEU . 11.1 mm -68.82 76.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -39.31 -61.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 160.45 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 55' ' ' HIS . 54.3 t -127.63 135.31 63.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.76 127.68 93.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.08 55.6 4.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 5.7 m-20 155.42 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -134.28 172.84 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ALA . 9.6 m-20 -62.55 -31.07 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' LEU . . . -67.32 -29.78 69.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.525 ' CD2' HG11 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -78.22 -36.27 47.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.587 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.13 -15.84 39.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -82.4 -5.37 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 -5.45 76.05 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 5.3 tp -51.52 141.52 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -149.26 173.22 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.5 117.07 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.71 -29.16 5.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.9 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.6 tt0 -70.67 132.0 44.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t -88.17 98.4 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.67 -64.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.18 158.45 43.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.55 HG23 ' CD2' ' A' ' 73' ' ' PHE . 98.6 t -136.43 134.08 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.541 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER 40.83 39.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 3.3 m-20 85.95 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' VAL . 22.0 t -56.49 122.21 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.86 140.14 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD2' HG23 ' A' ' 68' ' ' VAL . 2.2 m-30 -109.81 3.52 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.55 -20.41 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -165.95 80.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 73' ' ' PHE . 13.0 tt -134.47 159.45 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.48 146.29 48.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -57.99 -50.29 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -49.83 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.75 72.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.45 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -54.26 -38.46 65.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 33' ' ' ILE . 33.6 t -73.24 -41.82 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ILE . 1.5 mp0 -66.1 -61.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.445 ' CD1' HD12 ' A' ' 76' ' ' ILE . 14.3 mt -40.32 -57.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.0 mt -47.18 -55.43 8.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' THR . 1.5 mttp -59.75 -69.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' LYS . 66.7 p -38.35 -55.24 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' ARG . . . -55.92 99.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' ALA . 18.8 ptt180 -37.89 -47.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.65 126.17 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.17 124.04 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.65 76.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.06 162.96 12.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 mtp180 -113.43 115.64 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 m -110.53 162.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.85 130.16 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 HD12 ' NE ' ' A' ' 94' ' ' ARG . 3.4 mm -112.89 112.68 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -103.56 95.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.78 135.96 37.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -152.11 175.88 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -119.54 156.24 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -128.6 137.6 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -138.16 178.29 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -106.86 142.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 88.9 m-85 -144.37 154.04 42.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -71.23 78.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -46.14 -56.34 5.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -146.46 160.84 41.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 73.5 t -134.12 136.08 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.07 124.24 87.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.05 55.4 3.96 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER 160.03 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.087 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -127.59 -171.4 2.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -77.44 -35.83 53.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.31 94.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -55.57 -33.3 63.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.0 -42.0 12.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.74 -29.47 1.93 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.08 31.62 2.62 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 142.8 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 0.804 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -146.41 140.37 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -49.38 105.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.18 -31.82 1.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.595 1.185 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.38 134.73 56.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.786 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 4.8 tt0 -107.27 137.73 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -87.98 111.44 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.74 -62.15 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -149.94 150.97 32.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.698 ' CG1' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -134.26 131.64 55.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 61.7 m-80 48.22 30.18 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 78.9 34.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 93.1 t -108.89 153.92 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -105.22 101.96 11.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.698 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 5.6 m-85 -86.29 -26.16 25.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PHE . 34.0 mt-30 -38.47 -37.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.94 73.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 84' ' ' ILE . 2.2 tt -130.84 162.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' LYS . 12.9 mp0 -86.96 130.45 34.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' HD11 ' A' ' 33' ' ' ILE . 43.2 t-80 -39.41 -50.56 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -45.89 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -64.68 -45.64 85.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.3 -47.58 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.89 -29.5 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.53 -61.39 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.218 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 6.3 mt -40.17 -47.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mt -62.0 -68.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' THR . 16.6 mttt -42.04 -69.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 42.7 p -37.48 -71.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' LEU . . . -56.01 119.46 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 33.7 ptt-85 -56.36 -49.18 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 9.2 pt-20 -107.43 122.62 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.472 ' CG2' HD23 ' A' ' 85' ' ' LEU . 4.4 mt -91.38 106.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.32 71.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.494 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -91.1 157.47 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.406 ' NE ' HD12 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -107.26 106.74 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 m -98.35 158.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -153.57 135.43 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.961 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.97 130.94 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.916 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.34 149.41 51.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.85 -172.49 14.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -118.1 131.12 56.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 0.728 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -111.8 154.97 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.95 -121.41 2.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -161.99 129.78 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -153.63 143.87 22.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.53 84.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.92 74.78 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -71.29 119.49 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -147.41 -63.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.16 26.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -97.65 147.21 32.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 18.7 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -92.28 167.49 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mm -116.32 112.55 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 95' ' ' VAL . 75.3 t -97.02 95.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -96.81 135.5 38.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.42 148.65 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 23' ' ' LYS . 7.5 ttmt -97.17 -34.79 10.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER 57.3 112.11 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.95 23.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 102.3 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.45 26.3 5.17 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 0.0 111.062 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.55 -179.09 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 0.712 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 30.8 mt-30 -150.95 73.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER 59.8 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 114.01 17.26 7.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 28.3 p90 -169.1 161.7 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 0.745 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.0 m-20 -111.68 169.77 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.376 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -132.28 139.37 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -123.81 172.43 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.33 116.34 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.51 118.58 1.99 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 -57.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -50.11 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 177.25 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.44 -158.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.7 162.7 28.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.7 mm -98.86 110.64 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 37.2 m-85 -120.8 164.4 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.5 mm -71.97 90.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 1.1 p -56.0 -59.92 4.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 46' ' ' SER . 28.4 ttpt -145.47 151.27 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.1 t -127.69 132.03 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mm -66.04 128.0 93.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 56.17 4.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.6 m-20 157.64 49.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.7 p -131.23 -175.71 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -69.41 -39.99 77.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -53.22 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -47.84 -33.65 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.8 -41.77 14.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.52 6.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.78 32.62 4.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.059 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.403 HD11 ' CG1' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -81.14 144.31 31.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -145.72 133.38 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -46.46 99.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.5 -34.12 1.52 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.5 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.491 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -65.37 142.48 58.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 12.2 t -100.24 97.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.57 -64.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.37 156.69 47.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 73' ' ' PHE . 53.0 t -129.52 113.14 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 11.9 m-80 57.93 48.05 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 12.2 t0 83.47 -50.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.64 131.28 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.03 144.19 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 68' ' ' VAL . 1.1 m-85 -116.1 29.37 8.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.42 -31.82 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -140.31 74.53 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 tt -139.97 156.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.37 155.12 41.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CD2' HD12 ' A' ' 33' ' ' ILE . 22.1 t-80 -63.41 -49.64 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -42.5 73.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -46.42 90.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -59.33 -38.08 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.32 -44.13 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.69 -59.93 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.92 -67.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.0 mt -41.0 -57.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' THR . 23.1 mttt -53.43 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' LYS . 67.4 p -37.79 -61.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.68 113.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.78 -47.1 74.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.95 128.39 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.2 mt -86.93 131.27 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 72.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.437 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.02 164.01 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.89 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 19' ' ' VAL . 10.0 m -117.34 162.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -159.39 154.79 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.224 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 12.9 p90 -57.73 121.93 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.494 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 71.5 t80 -118.78 47.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 t -161.16 128.08 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.97 175.45 54.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.69 5.28 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t 52.97 95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.8 p -56.01 168.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -165.74 108.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.07 146.13 7.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.28 110.63 3.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -163.35 131.91 3.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -140.98 167.89 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 82.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.99 123.58 35.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -163.91 144.67 8.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -97.04 77.76 2.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.78 68.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -85.6 128.34 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -157.5 -45.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.57 34.81 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -109.54 145.97 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.03 134.73 18.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.74 158.5 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.4 mm -116.37 115.72 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.4 95.96 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -95.19 133.02 39.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' CD1' ' CB ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -131.14 152.29 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -123.09 104.71 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.63 114.64 49.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 168.51 24.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 99.33 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.487 1.783 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 28.98 3.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.37 -169.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.237 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mt-30 -144.27 162.96 35.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD13 ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -39.47 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.16 6.47 13.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -163.1 156.79 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.404 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 33.4 m-20 -107.72 143.81 35.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.553 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -107.92 147.39 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -139.99 177.95 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.76 -169.66 30.07 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.55 86.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -92.04 -57.78 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -155.46 -65.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 28.6 t -38.4 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -148.15 -70.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 41.7 -161.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.46 173.41 23.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 44' ' ' PHE . 31.1 mm -101.65 139.53 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' ILE . 47.2 m-85 -145.24 161.08 40.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 5.1 mm -71.87 102.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -64.9 -58.68 5.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.907 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 154.38 41.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 76.2 t -132.34 138.35 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.5 mm -66.35 124.87 89.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.95 56.65 4.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 155.66 45.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.1 p -127.35 -172.89 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.67 -34.36 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.94 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -53.03 -41.41 64.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.594 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.69 -43.94 29.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' CB ' ' CD1' ' A' ' 21' ' ' LEU . . . -45.45 -29.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 25.59 4.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.2 mt -82.69 143.6 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -142.76 146.72 34.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.17 103.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.11 35.87 0.91 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.145 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.36 118.73 37.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.91 127.44 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 68' ' ' VAL . 60.1 t -97.04 98.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.44 -65.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 154.37 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 32.7 t -126.24 119.8 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 8.8 m-80 59.63 28.22 17.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER 77.87 23.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.65 122.87 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.55 111.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -97.74 -24.65 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.5 -28.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' PHE . 77.4 m-20 -138.33 73.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.52 HG22 ' CG ' ' A' ' 73' ' ' PHE . 3.4 tt -136.36 162.25 35.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -89.66 140.79 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CD2' HD12 ' A' ' 33' ' ' ILE . 24.7 t-80 -47.89 -59.52 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.546 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 -47.89 23.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -46.32 90.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.41 -53.01 61.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.85 -49.3 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.1 mt-10 -58.81 -62.52 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' GLU . 79.0 mt -39.95 -61.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.61 -61.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -47.82 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.4 p -38.55 -63.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.38 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . . . -42.85 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -52.77 -38.78 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 6.4 pt-20 -123.31 126.96 47.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.7 mt -86.41 124.47 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.21 70.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.474 ' SD ' ' CG1' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -98.07 167.07 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 ttt180 -111.75 119.11 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.9 m -115.88 166.6 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.204 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 130.44 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 40.8 p90 -48.63 115.46 1.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -109.04 60.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.7 t 179.92 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.81 -145.6 16.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.95 19.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 p -157.86 128.41 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 168.46 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.414 1.071 . . . . 0.0 110.931 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.33 113.66 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.733 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -77.49 167.8 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.35 -104.99 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 58.38 105.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -74.08 134.11 42.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.81 133.57 11.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -133.59 149.0 51.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 0.747 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -128.96 156.15 44.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.27 75.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -146.26 75.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -149.46 104.7 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -155.06 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -156.07 50.32 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 158.08 0.5 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.56 1.821 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.63 152.08 43.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.1 mm -108.98 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.25 96.99 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -96.57 139.8 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.8 155.99 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' LYS . 33.7 mmtt -95.59 -38.58 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.36 110.53 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 169.68 22.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.422 1.748 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 106.32 2.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.066 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.0 6.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.81 -171.81 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' GLY . 7.7 mt-30 -154.78 69.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER 61.02 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 114.98 12.27 10.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 17.4 p90 -163.07 160.77 24.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.543 0.79 . . . . 0.0 110.971 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -103.87 156.89 17.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.358 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.6 pp -124.36 131.69 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -124.57 174.75 7.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . 84.45 144.57 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.63 140.74 8.11 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -166.24 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.91 -60.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -47.49 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 -62.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.97 -156.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.49 160.47 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 35.3 mm -91.11 133.89 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.6 155.94 49.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.1 mm -69.25 90.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -58.88 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.35 158.58 43.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 95.4 t -133.91 131.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.06 126.37 92.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.01 54.76 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 163.71 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.8 p -126.0 -171.49 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.96 -39.85 49.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.6 98.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.422 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 6.7 t-160 -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -89.4 -34.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -18.74 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 29.81 6.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.44 143.39 31.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.353 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -145.8 137.3 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.17 100.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.58 44.92 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.91 107.8 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.67 126.52 29.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -91.38 100.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -62.91 -64.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -133.01 167.95 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 3.7 t -141.28 126.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 15.5 m-80 44.52 48.06 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.9 t0 82.51 -51.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.28 134.67 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.08 145.24 40.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -117.3 -8.7 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -49.58 -23.87 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -149.65 68.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.8 tt -128.15 156.5 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.6 143.82 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 17.1 t-80 -51.74 -57.36 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -40.87 71.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -43.85 98.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.431 HG23 ' CG1' ' A' ' 33' ' ' ILE . 53.6 t -66.82 -45.46 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -62.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 30.8 mt -40.99 -67.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.1 mt -40.99 -66.6 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -44.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.1 p -37.89 -59.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.78 108.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 9.9 ptp180 -52.33 -39.08 60.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 10.1 pt-20 -121.73 125.97 47.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.3 mt -83.46 140.48 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 8.8 t -148.15 77.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.476 ' CB ' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -108.33 148.24 30.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.6 ttt180 -103.6 108.99 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.24 163.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' PHE . 6.6 ttp180 -158.5 136.72 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -45.92 94.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 71.6 t80 -86.42 61.15 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.3 t -173.98 110.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.59 -144.51 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 87.32 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 104.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.1 t -72.33 103.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 p -175.81 139.92 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.038 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -172.75 160.59 4.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.44 152.09 19.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -158.51 107.79 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.2 165.19 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.04 143.26 3.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 62.1 110.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -129.2 -63.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.49 55.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.36 50.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.1 m -59.16 150.76 24.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.567 1.167 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -178.02 -36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -157.96 33.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -92.18 157.49 40.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.92 6.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.828 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -140.77 154.53 46.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.18 135.58 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.432 ' CG2' HG22 ' A' ' 95' ' ' VAL . 15.0 t -121.44 96.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -94.25 127.69 40.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.454 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.45 168.44 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -110.63 -50.65 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' CD ' ' HA ' ' A' ' 29' ' ' LEU . 3.9 ttpp 60.97 118.31 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.0 26.19 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.69 164.37 14.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.7 pt20 -116.23 56.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.66 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 63.55 -78.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.607 1.192 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 122.7 4.16 8.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 41.2 p90 -164.06 167.21 20.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -119.08 146.35 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 81' ' ' ALA . 1.4 pt -104.87 155.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -154.67 159.9 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.47 155.74 2.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.396 1.06 . . . . 0.0 111.071 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.15 56.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.02 166.87 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.17 69.68 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.79 45.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.588 1.18 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 60.47 58.19 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.91 -158.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.55 -159.76 31.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.86 137.53 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -141.4 150.08 41.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.525 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 9.2 mm -62.89 94.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.81 -58.62 7.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 46' ' ' SER . 26.5 ttpt -145.7 151.77 38.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.525 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 59.2 t -130.94 134.15 62.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.97 124.14 86.91 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.394 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.97 58.75 4.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.8 m-20 156.07 45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -127.4 -171.57 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.77 -32.4 57.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.83 71.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -53.25 -26.11 16.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.54 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -98.73 -32.09 11.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.86 37.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 34.15 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.403 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -91.34 144.2 25.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.43 139.89 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.77 104.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.15 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.86 111.95 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.13 125.09 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.66 95.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.65 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.69 165.8 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.564 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 50.6 t -137.64 108.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 43.9 m-80 58.69 47.0 13.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.2 t0 83.93 -50.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -54.08 122.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.53 130.4 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -97.25 -9.91 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -47.17 -26.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -150.41 82.8 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 84' ' ' ILE . 2.9 tt -143.31 161.71 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.51 147.27 30.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -55.33 -61.98 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -39.31 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -50.45 67.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -55.96 -42.22 75.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.067 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.91 -47.94 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -61.53 -56.58 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 76' ' ' ILE . 94.0 mt -41.12 -57.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.4 mt -48.99 -63.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' HG3' ' CD2' ' A' ' 29' ' ' LEU . 21.1 mttt -51.53 -69.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.1 p -38.7 -42.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.99 106.71 3.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 5.5 ptp180 -45.34 -50.56 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 4.4 pt-20 -118.05 129.69 55.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CD1' ' HE3' ' A' ' 23' ' ' LYS . 5.2 mt -83.31 149.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 63.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.402 ' SD ' ' CG1' ' A' ' 95' ' ' VAL . 1.7 ptp -94.56 160.54 14.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -109.94 112.31 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.432 HG22 ' CG2' ' A' ' 19' ' ' VAL . 33.3 m -109.39 173.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -162.64 153.34 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -70.01 86.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -90.58 64.87 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -176.76 85.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.43 157.0 22.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.05 7.48 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.559 1.82 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.94 132.54 42.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.35 164.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 110.962 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.31 86.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -177.15 170.16 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.35 114.49 0.63 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.08 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -171.62 153.48 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.076 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.26 -162.35 0.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.414 1.071 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.49 -63.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.15 -54.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 62.38 93.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -112.77 49.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -85.74 156.78 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.574 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 9.5 tp60 -164.52 -45.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.574 ' CD2' ' HG3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -138.88 15.07 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.45 155.82 90.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.12 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.432 1.754 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.83 155.36 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mm -108.52 109.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 59' ' ' LEU . 51.6 t -92.69 97.47 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -94.66 133.56 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 54' ' ' ALA . 5.9 mp -123.51 169.23 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -110.76 2.29 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -34.99 122.42 0.58 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 173.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.9 -19.15 18.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.536 1.808 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.41 34.14 6.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.53 154.63 23.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -98.25 14.84 26.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.24 136.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.56 19.91 30.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -166.93 163.28 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -117.44 157.28 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.503 ' CD1' ' CB ' ' A' ' 81' ' ' ALA . 1.2 pt -113.3 152.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -149.08 159.1 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 168.7 42.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.51 142.24 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 9.6 mttt -165.66 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' LYS . . . 164.32 -45.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 40' ' ' GLN . 33.2 t -39.24 -71.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' SER . 88.6 mt-30 -157.22 -43.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.84 159.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.76 -151.69 6.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' CD2' ' A' ' 73' ' ' PHE . 33.0 mm -100.61 146.47 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -149.97 140.39 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.3 mm -56.81 104.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -62.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -141.13 146.31 36.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 65.4 t -130.69 129.52 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 5.7 mm -65.88 130.33 94.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 49' ' ' ILE . 18.3 Cg_endo -74.94 53.51 3.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 163.57 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -179.26 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.21 -36.54 71.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 59' ' ' LEU . . . -66.96 -44.91 79.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 8.6 t-160 -54.69 -30.24 55.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -91.91 -29.69 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.74 72.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.09 34.41 1.14 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 54' ' ' ALA . 1.6 mp -91.02 140.71 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -148.59 138.85 22.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.49 103.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.0 -18.9 3.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.16 116.03 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 11.5 tt0 -77.27 147.2 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 21.7 t -107.53 98.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.88 -65.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.99 159.36 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 40.8 t -135.68 107.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 54.9 m-80 58.95 51.9 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.0 t0 81.84 -52.98 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.08 126.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.69 152.67 43.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -124.89 23.52 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -28.92 31.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 1.5 p-10 -149.74 85.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.5 tt -149.65 157.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.96 145.63 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 3.7 t-80 -61.15 -50.76 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.202 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -33.36 66.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -68.49 -52.58 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -48.98 -45.74 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.7 -63.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.71 -50.9 31.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.5 mt -43.51 -54.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -55.88 -53.64 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -52.31 -61.53 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -57.33 -21.92 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.9 93.68 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.36 -39.7 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.02 125.63 44.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.89 141.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.63 61.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.414 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 1.8 ptp -91.85 161.31 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -112.9 110.25 20.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.411 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.7 m -105.25 165.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -163.81 127.36 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.25 120.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -129.68 52.35 2.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m 47.35 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -110.86 154.29 16.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -176.84 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.71 -59.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.5 4.53 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.52 142.57 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -73.49 86.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 110.65 1.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -147.47 136.84 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 0.717 . . . . 0.0 109.933 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -65.2 110.16 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.951 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.76 -64.8 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.549 1.156 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.7 128.96 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -145.22 -55.49 0.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -160.8 116.81 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -145.86 76.66 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -68.14 112.32 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 16.6 pt20 -162.03 -43.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 13' ' ' GLN . 13.4 m-85 -158.43 47.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -108.69 143.17 26.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 156.85 43.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.3 ptp180 -80.72 166.41 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 mm -110.14 144.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 59' ' ' LEU . 26.5 t -135.7 95.88 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.29 128.73 34.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -112.52 169.02 9.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -124.95 112.24 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.598 ' HZ1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.74 111.73 41.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.52 14.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 127.98 11.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.23 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.01 -172.51 2.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.01 147.53 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' N ' ' HZ1' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -48.14 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.88 -0.08 7.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -150.16 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -114.03 136.91 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -105.96 152.06 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -148.7 174.38 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . 62.18 145.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.83 69.29 0.1 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.33 -172.17 4.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -65.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LEU . 3.6 p -43.69 122.85 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -45.02 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -146.14 -158.08 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . -168.89 -172.41 35.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 HG13 ' CD2' ' A' ' 73' ' ' PHE . 13.3 mm -93.13 122.08 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.463 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 49.1 m-85 -133.19 146.4 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.3 mm -60.48 85.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -50.5 -59.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.92 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 74.7 t -132.94 133.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.7 128.05 93.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.06 56.49 4.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.6 m-20 154.97 50.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -133.75 -176.36 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.3 m-20 -68.47 -37.57 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -61.89 -52.09 65.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -48.52 -27.96 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -95.78 -31.1 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -59.44 -22.51 61.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.12 18.39 17.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 142.28 55.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.241 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -141.94 130.49 22.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -47.25 105.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.54 2.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.606 1.191 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -52.14 102.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.3 tt0 -66.31 126.41 28.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -84.44 88.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 66' ' ' LEU . 4.1 mm? -49.32 -67.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.65 158.97 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.574 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 86.9 t -125.71 122.88 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m-80 54.72 29.42 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 78.22 27.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.63 121.48 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 2.5 p30 -57.46 114.48 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -103.48 -15.53 15.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -41.88 -28.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.1 t0 -150.76 93.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.0 tt -150.83 158.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.44 133.96 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CD2' HD12 ' A' ' 33' ' ' ILE . 38.5 t-80 -43.75 -56.69 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.36 -53.91 15.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -54.93 17.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -47.17 -51.16 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.88 -57.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -47.97 -58.45 4.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' ALA . 10.8 mt -41.0 -67.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.98 -54.75 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -52.58 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.387 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -52.05 -20.49 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -88.02 107.55 18.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 2.8 ptp180 -50.37 -51.11 48.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.28 126.78 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 57.7 mt -89.93 123.61 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.58 68.11 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.34 163.92 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.24 133.82 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' ARG . 29.7 m -128.13 172.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.97 144.95 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.31 93.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -88.26 65.26 7.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.31 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.028 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.45 -147.57 18.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.4 1.062 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 172.7 15.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.456 1.766 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -134.61 -55.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -138.83 114.64 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.64 119.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.702 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -111.93 153.6 26.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.976 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.93 119.67 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 132.93 38.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.98 118.37 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.99 -108.31 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.47 136.75 58.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -148.89 -58.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -160.15 88.45 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 11' ' ' LEU . 1.1 pt? -147.75 79.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.5 p -122.92 174.59 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -172.86 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -151.86 29.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.32 156.76 45.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' CG ' HG23 ' A' ' 95' ' ' VAL . 11.2 ptp180 -130.96 159.14 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.211 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HD12 ' NE ' ' A' ' 94' ' ' ARG . 4.0 mm -111.93 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.5 t -92.67 96.19 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 1.9 m -98.35 134.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.09 150.06 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.5 mmtt -95.16 3.29 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -38.21 116.61 0.9 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.93 39.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 56.22 4.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.12 40.39 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -136.99 -163.24 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -111.66 129.18 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 1.5 tp -43.72 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.27 10.2 8.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.579 1.175 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 36.3 p90 -163.28 153.2 15.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' LYS . 31.3 m-20 -106.22 164.1 12.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 78' ' ' HIS . 1.0 OUTLIER -128.13 138.77 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 27.0 ptt85 -127.85 162.03 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ARG . . . 57.82 155.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.2 -43.54 1.25 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -40.26 -70.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.18 -143.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.9 t 47.62 42.93 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.518 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 19.6 mt-30 48.93 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -174.28 150.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.99 -131.87 5.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.553 HG13 ' CD2' ' A' ' 73' ' ' PHE . 29.0 mm -128.21 110.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -118.47 150.39 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.8 mm -68.14 91.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -56.91 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -146.87 135.93 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 142.93 38.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 49' ' ' ILE . 5.6 mm -66.15 120.86 73.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.07 51.83 2.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 22.8 t0 173.2 39.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -132.69 171.75 13.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.87 -40.72 61.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 59' ' ' LEU . . . -60.48 -71.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 50' ' ' PRO . 9.1 t-80 -42.61 -48.35 5.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.584 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -38.34 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' ALA . . . -57.62 -21.04 37.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.14 27.44 3.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 45' ' ' ILE . 3.1 mp -79.28 141.37 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -150.93 134.03 16.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.71 100.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.63 41.1 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -116.81 103.86 10.75 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.567 0.804 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.41 139.56 58.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG12 ' CG2' ' A' ' 68' ' ' VAL . 94.5 t -103.34 88.65 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.77 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 156.81 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 73' ' ' PHE . 40.3 t -125.89 108.02 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 45.8 m-80 60.3 45.72 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.7 t0 85.2 -47.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.91 128.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -73.94 138.68 44.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD2' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -112.9 -7.41 13.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.75 -25.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -148.67 78.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 73' ' ' PHE . 3.5 tt -133.88 160.08 42.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.01 145.13 30.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.548 ' CD2' HD11 ' A' ' 33' ' ' ILE . 41.0 t-80 -52.05 -64.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.33 -40.53 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -51.85 67.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -55.06 -49.98 70.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 75.7 t -58.7 -49.45 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ILE . 3.5 mt-10 -60.06 -60.31 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 58.7 mt -40.4 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.3 mt -43.08 -49.45 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -62.16 -72.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -39.61 -57.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.43 108.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.63 -34.57 71.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -125.72 129.97 50.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 20' ' ' THR . 17.6 mt -95.47 139.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.85 68.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.406 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -94.5 168.0 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' NE ' HD12 ' A' ' 18' ' ' ILE . 4.7 mtt180 -112.16 108.0 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.412 HG23 ' CG ' ' A' ' 17' ' ' ARG . 35.2 m -106.05 169.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -164.12 137.83 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 19.3 p90 -43.9 120.89 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -141.76 55.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 92.0 p -176.65 138.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.47 163.03 14.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.13 11.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.1 m -112.91 139.41 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.87 142.59 17.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.94 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.558 1.161 . . . . 0.0 110.976 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -130.62 -92.01 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 109.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t 74.12 -177.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.85 98.08 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.68 154.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -151.84 137.26 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.73 57.75 17.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -160.95 -45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -101.56 158.95 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.23 30.24 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -97.82 35.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -68.41 137.66 54.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.55 -59.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.91 26.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.5 mt -56.83 156.17 13.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -167.58 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 152.89 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HD13 ' CG ' ' A' ' 94' ' ' ARG . 5.4 mm -108.2 112.01 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 95' ' ' VAL . 59.2 t -94.68 103.45 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.73 127.05 40.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.71 173.54 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.9 tttm -108.37 -74.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 59.63 119.86 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.55 14.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 132.02 14.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.91 33.03 86.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.02 175.62 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LEU . 28.9 pt20 -87.25 132.34 33.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD22 ' CZ ' ' A' ' 31' ' ' PHE . 2.0 tp -39.25 -64.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.04 -4.27 8.39 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 4.9 p90 -151.58 158.89 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.594 0.82 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.418 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 68.4 m-20 -108.89 142.26 39.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.533 HD13 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -109.25 156.99 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -156.24 176.43 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.34 -129.79 9.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 37' ' ' LYS . . . 75.65 84.26 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 3.1 mtmt -177.85 -169.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.37 -143.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 t 47.23 36.61 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 64.93 77.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.95 -152.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.8 -157.38 27.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 73' ' ' PHE . 21.2 mm -89.86 123.91 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 27.2 m-85 -126.9 147.86 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.2 80.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -45.7 -62.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 160.65 41.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG13 ' CD2' ' A' ' 55' ' ' HIS . 71.5 t -130.24 137.46 56.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.457 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 29.1 mm -67.81 125.85 91.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.575 1.829 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 154.26 48.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p -138.31 171.9 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ALA . 23.7 m-20 -63.66 -28.03 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.95 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.548 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -86.24 -24.04 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.634 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.07 -23.55 16.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 56' ' ' ARG . . . -62.83 -46.41 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.25 44.65 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -102.29 141.69 34.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -137.35 134.63 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -49.09 103.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.51 -20.11 3.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -65.85 130.1 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 3.6 tt0 -96.81 133.29 41.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG11 ' CG2' ' A' ' 68' ' ' VAL . 4.3 t -89.18 105.24 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.59 -63.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.41 156.7 47.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 73' ' ' PHE . 39.4 t -132.97 105.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 27.2 m-80 58.89 49.57 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.2 t70 83.06 -50.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.93 134.98 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.97 151.79 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -130.86 27.92 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.02 -22.99 36.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -157.2 91.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' CD1' ' A' ' 84' ' ' ILE . 16.3 tt -148.49 159.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -74.43 132.84 42.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' CD2' HD13 ' A' ' 33' ' ' ILE . 23.6 t-80 -41.82 -60.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.83 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -54.94 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' CB ' ' CD1' ' A' ' 33' ' ' ILE . . . -46.81 -50.32 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.45 -48.27 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -57.04 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.406 ' CD1' HD12 ' A' ' 76' ' ' ILE . 91.8 mt -43.17 -65.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -42.59 -46.0 4.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.81 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -48.06 -23.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.52 102.31 13.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -43.89 -50.86 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.77 126.83 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -84.63 125.07 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 77.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.11 170.36 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.406 ' CG ' HD13 ' A' ' 18' ' ' ILE . 9.1 ttt180 -117.32 121.06 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 19' ' ' VAL . 18.7 m -114.49 166.8 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -164.3 128.28 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.3 115.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -113.7 61.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -168.29 126.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.17 -179.95 49.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.443 1.089 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -29.05 8.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.26 163.62 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.4 p -170.93 134.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.428 1.08 . . . . 0.0 111.042 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -179.94 133.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.042 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -176.24 152.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.52 179.74 42.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.7 162.57 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -160.7 110.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.34 117.49 2.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 63.63 133.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.2 154.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.8 -145.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt 47.75 65.66 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -101.4 148.86 24.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 7.6 pm0 -178.99 -33.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 6.1 m-85 -160.62 37.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -110.16 143.96 29.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.85 137.29 21.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.798 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.5 ptp180 -102.97 166.13 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.0 mm -116.59 135.22 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.68 95.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.419 ' CG2' ' OG ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -98.1 129.38 44.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 54' ' ' ALA . 6.0 mp -126.08 174.13 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' LYS . 14.7 tttt -101.22 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER 60.4 121.78 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.371 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 165.58 31.05 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.91 20.27 7.29 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.73 160.04 20.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -97.43 23.65 7.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.266 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 HD13 ' CE ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 65.93 139.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 11.77 53.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.4 ' CE1' HD22 ' A' ' 29' ' ' LEU . 5.0 p90 -160.38 162.97 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' SER . 27.1 m-20 -112.57 144.37 42.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -112.2 145.94 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -151.43 173.85 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.46 157.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.11 101.76 1.26 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -164.26 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -171.74 33.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -126.98 52.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 38.14 40.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.92 -178.4 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.2 -156.95 7.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' CD2' ' A' ' 73' ' ' PHE . 47.9 mm -98.47 140.14 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 43' ' ' ILE . 30.1 m-85 -143.58 150.61 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.7 mm -66.2 81.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -44.94 -56.9 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.955 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 161.49 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 53.2 t -133.55 136.4 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 mm -66.09 124.17 87.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.0 56.25 4.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER 158.88 44.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -127.81 -173.53 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 25.7 m-20 -76.12 -34.59 59.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -65.37 -38.84 91.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -61.03 -28.61 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -93.66 -38.78 11.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.29 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.4 23.08 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.19 138.8 38.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 0.75 . . . . 0.0 109.339 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 149.25 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.78 112.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.52 -2.12 8.15 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.03 105.01 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.531 ' OE1' ' CE2' ' A' ' 98' ' ' PHE . 3.8 tt0 -70.68 132.46 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 HG21 ' CE ' ' A' ' 93' ' ' MET . 77.5 t -95.27 102.49 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.63 -64.22 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 163.02 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 73' ' ' PHE . 63.7 t -137.53 105.51 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 20.9 m-80 56.8 53.13 8.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.0 t0 82.17 -52.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -53.78 125.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.4 136.26 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 68' ' ' VAL . 1.3 m-85 -102.97 -7.43 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -47.81 -26.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.43 71.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -131.58 156.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.48 146.29 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CD2' HD12 ' A' ' 33' ' ' ILE . 43.8 t-80 -54.28 -55.55 27.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -34.09 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.186 . . . . 0.0 110.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' CG ' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -70.65 -47.21 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -57.12 -49.0 77.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.56 -59.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -51.39 -60.4 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 80' ' ' LYS . 69.9 mt -39.75 -68.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' CD2' ' A' ' 29' ' ' LEU . 22.2 mt -40.49 -59.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' THR . 3.4 mtpm? -51.41 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.343 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' LYS . 10.3 p -38.07 -34.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.35 99.96 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 6.0 ptp180 -45.11 -45.15 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 5.6 pt-20 -121.31 128.37 52.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 92' ' ' SER . 34.0 mt -86.81 138.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -154.66 65.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.462 ' CE ' HG21 ' A' ' 65' ' ' VAL . 1.2 ptp -94.29 156.07 16.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.1 ttt180 -101.06 118.09 36.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG21 ' CG ' ' A' ' 17' ' ' ARG . 29.5 m -117.68 158.9 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -152.08 139.69 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.17 115.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -117.41 38.87 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m 69.11 124.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.933 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.14 160.05 14.33 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.2 p -83.14 152.5 25.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -84.69 90.51 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.71 133.09 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 p -165.16 162.21 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.64 -144.69 6.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -100.96 -59.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 m 57.44 164.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.48 76.45 0.43 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 142.35 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.63 171.17 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.13 64.64 7.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 1.4 pp -172.16 92.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 15.2 t -157.39 111.08 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 12' ' ' THR . 24.7 mt-30 -152.78 -69.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 15' ' ' LEU . 68.5 m-85 -130.51 -1.36 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER 54.2 167.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 131.57 14.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -90.87 147.75 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.2 mp -100.63 124.04 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 59' ' ' LEU . 73.2 t -98.81 95.11 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -97.82 134.18 41.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -121.43 152.09 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -103.73 -47.52 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 59.34 116.85 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.21 25.32 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.831 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 100.18 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.65 28.91 4.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 111.05 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.66 -168.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -138.21 156.01 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -39.82 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.98 11.59 9.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 19.2 p90 -162.9 157.95 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -114.95 155.31 27.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -114.22 155.17 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' GLY . 8.1 ptt180 -158.05 175.85 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . 56.44 160.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 42' ' ' GLY . . . 104.44 65.82 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.98 -65.49 1.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.82 -148.39 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.3 t 39.21 38.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 51.67 74.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.01 148.75 37.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CA ' ' A' ' 36' ' ' GLY . . . -116.59 -157.5 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.532 HG13 ' CD2' ' A' ' 73' ' ' PHE . 46.1 mm -93.12 141.04 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 0.798 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -136.98 134.27 36.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -50.73 107.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.474 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -73.47 -57.86 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.08 147.26 31.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 51.7 t -132.09 127.33 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.11 125.79 90.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.064 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 14.1 t0 172.7 40.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.8 p -130.76 170.7 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 16.6 m-20 -61.45 -30.99 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' CB ' HD22 ' A' ' 59' ' ' LEU . . . -67.99 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -42.34 -50.16 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.63 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -48.35 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . -43.54 -29.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.91 34.77 1.11 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -90.83 141.7 28.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -149.57 133.83 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -44.82 107.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.91 -45.36 1.04 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.55 115.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 6.6 tt0 -80.9 143.43 32.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' A' ' 68' ' ' VAL . 15.4 t -102.93 100.41 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.51 151.3 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 73' ' ' PHE . 55.5 t -124.6 107.03 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 66.1 m-20 55.04 52.2 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.0 t0 83.42 -51.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -54.08 120.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.34 134.75 42.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.082 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CD2' HG21 ' A' ' 68' ' ' VAL . 1.5 m-85 -103.4 -7.71 20.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -44.64 -35.53 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 89.18 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 84' ' ' ILE . 15.4 tt -150.69 158.02 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -75.1 149.24 39.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.506 ' CD2' HD12 ' A' ' 33' ' ' ILE . 36.7 t-80 -56.55 -45.36 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -57.82 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -45.78 -57.52 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -49.86 -54.86 16.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.0 t -54.47 -54.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.7 mt-10 -54.42 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 76' ' ' ILE . 14.2 mt -40.27 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.1 mt -39.68 -53.11 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -57.07 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.3 p -38.32 -61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.5 107.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -55.46 -35.08 65.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.04 129.28 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.3 mt -92.09 141.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.37 74.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.455 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.17 159.85 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.66 128.1 42.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.412 HG23 ' CG2' ' A' ' 19' ' ' VAL . 17.3 m -131.69 155.53 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.376 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.76 141.8 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.76 158.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -122.79 37.96 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 m 63.31 90.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.62 -169.98 18.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 94.29 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.3 m -81.32 145.98 30.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -127.84 -61.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -162.92 149.35 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.42 170.84 4.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.99 -137.35 7.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -149.16 171.08 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.71 155.92 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.16 107.02 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -166.34 162.41 17.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.1 90.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -119.84 -149.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 47.38 81.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -123.0 140.05 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 14' ' ' PHE . 9.1 pt20 -165.56 -42.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' N ' ' CG ' ' A' ' 13' ' ' GLN . 11.1 m-85 -155.74 49.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 mt -94.97 150.91 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.88 40.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' VAL . 5.7 ptp180 -80.46 164.04 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 1.8 mm -102.89 152.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.226 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG1' HD13 ' A' ' 59' ' ' LEU . 63.7 t -139.39 95.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -101.08 135.35 42.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CB ' HD13 ' A' ' 91' ' ' ILE . 1.2 tp -118.23 163.13 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.07 -53.08 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.5 ttpp 59.85 119.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 170.33 20.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.81 34.27 6.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.31 -169.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LEU . 34.8 mt-30 -128.6 153.27 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -39.43 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.24 2.93 8.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 21.0 p90 -159.71 159.87 33.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 19.9 m-80 -115.11 164.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.3 pp -124.6 146.7 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.418 1.074 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -138.06 169.87 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.61 163.31 30.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.05 114.4 0.98 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.68 -61.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.59 -50.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.5 t -50.35 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 2.1 pp0? 179.05 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER 39.69 -141.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.48 163.24 34.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 23.4 mm -92.4 149.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 56.8 m-85 -152.91 139.99 19.29 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.4 mm -50.41 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -66.66 -58.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -145.14 153.9 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 88.6 t -134.23 132.19 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.97 125.22 89.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 59.39 5.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 155.86 45.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -127.19 -170.66 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.24 -31.76 38.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.06 74.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -52.1 -47.76 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -39.15 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.35 -30.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.12 31.29 2.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD13 ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -88.09 143.1 27.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.743 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -146.46 139.19 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.91 107.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 -25.84 4.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 107.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.552 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 1.9 tt0 -67.68 131.19 45.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 73' ' ' PHE . 94.0 t -90.14 93.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 66' ' ' LEU . 2.9 mm? -55.99 -66.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.39 147.26 32.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 73' ' ' PHE . 69.0 t -119.55 114.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.2 m-80 59.69 42.79 16.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.43 -44.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.98 124.98 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -72.01 125.77 28.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -100.63 7.55 43.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.79 -9.86 56.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -165.93 76.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 73' ' ' PHE . 12.4 tt -141.18 154.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.44 159.17 24.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 19.9 t-80 -72.76 -51.7 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -35.02 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -44.59 35.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -60.2 -24.41 64.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.9 t -84.53 -63.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 84' ' ' ILE . 9.7 pt-20 -44.91 -48.84 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 12.2 mt -45.32 -56.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.77 -35.03 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' THR . 19.4 mttt -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' LYS . 6.8 t -36.66 -40.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ILE . . . -60.35 95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 5.2 ptp180 -45.44 -42.75 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.2 pt-20 -124.61 125.4 44.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 21' ' ' LEU . 6.9 mt -84.44 150.62 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.37 60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 110.034 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.501 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . 3.5 ptp -91.96 165.26 13.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.473 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.6 mtt180 -108.57 128.29 54.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.329 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' ARG . 34.4 m -124.65 174.07 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.55 155.45 41.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -76.99 74.97 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -67.14 67.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.088 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 97' ' ' PHE . 5.1 t -176.5 131.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.76 162.88 37.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.57 25.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.423 1.749 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.41 104.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.2 m -97.0 153.48 17.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.107 . . . . 0.0 111.026 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -99.13 169.54 9.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -159.69 140.56 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.76 123.45 1.17 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -178.58 164.19 1.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 0.808 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -42.07 141.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.96 -75.15 0.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 58.62 166.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -134.96 140.19 45.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 64.13 111.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.9 mt -134.93 71.5 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -90.05 164.4 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.465 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 5.1 pm0 -165.37 -41.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 13' ' ' GLN . 13.2 m-85 -160.55 47.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.19 152.94 40.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 165.23 31.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 95' ' ' VAL . 2.4 ptt180 -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.2 mm -113.58 115.29 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.89 96.13 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -96.68 135.07 39.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.05 166.19 10.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 23' ' ' LYS . 9.1 mmtt -112.08 6.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -33.42 121.37 0.46 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.13 33.94 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 56.66 4.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.55 41.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.54 -175.06 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 59.6 mt-30 -113.94 161.74 17.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 mp -52.2 -84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.09 14.4 7.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.583 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 15.2 p90 -164.07 158.28 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 0.726 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.3 m-20 -109.05 139.58 43.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.531 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -106.33 132.89 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -129.79 170.59 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.67 -164.82 12.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.19 80.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' ALA . 2.0 pttt -93.99 -49.53 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' LYS . . . -179.27 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.6 t -76.42 61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 59.08 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.6 OUTLIER 55.45 -153.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.18 38.35 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 33.0 mm -89.89 147.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 43' ' ' ILE . 39.4 m-85 -149.45 161.3 42.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.1 mm -76.19 97.63 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -58.44 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -146.01 152.9 40.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.8 t -129.87 132.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.15 125.03 89.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.09 56.07 4.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 161.0 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.1 p -125.79 -170.22 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -78.41 -38.92 40.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.37 93.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -48.58 -44.63 36.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.54 -40.87 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.49 -31.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.37 29.79 2.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.66 151.97 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -163.24 145.66 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.38 103.49 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.28 43.88 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.67 100.22 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.93 128.81 37.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.33 107.76 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' A' ' 95' ' ' VAL . 2.2 mm? -67.69 -62.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.91 161.5 37.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 73.0 t -135.82 105.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 14.1 m-80 61.33 52.32 3.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.0 t0 82.04 -52.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 109.245 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.79 134.45 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.95 154.76 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -126.2 12.39 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.3 mt-30 -69.47 -28.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 79.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 9.1 tt -137.22 153.72 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.48 139.35 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 21.6 t-80 -54.29 -58.77 6.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -45.17 -40.9 7.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.97 -56.42 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -43.09 -49.36 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.0 -57.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -52.37 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ALA . 95.7 mt -47.84 -70.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.49 -44.57 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -61.98 -69.82 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 p -49.02 -22.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -87.31 102.46 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -38.42 39.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -121.57 125.03 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CG2' ' SD ' ' A' ' 93' ' ' MET . 60.0 mt -86.87 120.66 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.49 72.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.41 ' SD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -99.88 169.04 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.8 mtt180 -112.91 138.32 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.538 ' HA ' ' CD2' ' A' ' 66' ' ' LEU . 19.5 m -133.47 167.39 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -157.01 151.2 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.32 83.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -91.7 69.83 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t 45.86 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.08 172.73 16.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 149.87 37.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.53 152.3 31.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -96.83 -57.64 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m 67.13 170.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.733 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.64 153.65 20.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.22 -139.3 9.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.62 165.9 10.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 150.22 18.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.11 -168.25 24.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -151.56 148.48 28.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.72 -58.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 49.53 80.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 63.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 p -128.74 171.85 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -163.01 -44.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.2 36.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -77.87 154.39 80.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.92 163.85 34.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.43 155.29 23.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 8.2 mm -102.12 136.62 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 59' ' ' LEU . 55.6 t -120.75 95.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -102.2 128.41 48.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.09 175.02 5.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LYS . 36.0 mmtt -112.04 -50.37 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER 59.57 117.34 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.53 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 65.57 6.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.03 43.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.35 175.59 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.786 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' LEU . 34.8 mt-30 -138.9 55.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' GLN . 5.4 mp 59.95 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.46 16.88 42.24 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -147.38 161.07 41.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 11.9 m-80 -108.99 128.68 55.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.569 HD11 ' CD2' ' A' ' 78' ' ' HIS . 1.2 pp -100.31 138.18 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -137.26 175.19 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 129.44 4.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.4 -128.43 2.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 65.78 -177.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -38.78 -65.49 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' GLN . 42.1 p -47.61 123.96 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 4.7 mt-30 -35.86 -57.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.55 -163.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.16 -153.61 6.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.78 139.18 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' SER . 46.8 m-85 -146.45 145.81 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.463 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.2 mm -61.34 85.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -48.68 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 164.21 33.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG12 ' CD2' ' A' ' 55' ' ' HIS . 54.8 t -131.04 133.98 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.11 123.6 85.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.551 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.11 55.08 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 160.61 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -130.5 -168.97 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.56 -27.67 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . . . -64.1 -48.29 76.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -47.83 -42.97 27.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.622 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -40.53 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.65 -37.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.28 27.69 3.05 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 45' ' ' ILE . 29.2 mt -84.04 151.35 25.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 0.698 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -142.84 137.91 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.62 103.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.07 0.79 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.22 112.42 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 130.49 43.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.523 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 75.7 t -96.56 91.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.78 -67.3 0.3 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.6 139.52 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG23 ' CE2' ' A' ' 73' ' ' PHE . 81.3 t -107.96 112.36 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 42.5 m-20 60.7 41.2 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.6 t70 87.31 -42.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' VAL . 52.0 t -55.9 128.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.23 130.73 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE2' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -107.88 -8.13 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.63 -31.05 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -144.2 76.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.5 tt -135.04 158.0 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.8 146.36 29.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CD2' HD11 ' A' ' 33' ' ' ILE . 13.4 t-80 -52.48 -59.75 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -45.43 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -43.19 84.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.47 94.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 33' ' ' ILE . 88.4 t -62.03 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.82 -60.36 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.7 mt -41.89 -68.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 mt -40.86 -56.7 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ALA . 8.0 mttm -53.23 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.3 p -37.41 -32.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' LYS . . . -80.78 118.68 22.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 29.0 ptt-85 -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.1 pt-20 -111.37 125.68 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.2 mt -92.26 124.05 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.61 88.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.516 ' SD ' ' CG1' ' A' ' 65' ' ' VAL . 16.9 ptp -106.78 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.496 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 5.5 ttt180 -112.44 108.96 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG23 ' CG2' ' A' ' 19' ' ' VAL . 22.5 m -111.45 158.34 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -154.91 139.82 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -43.84 99.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 43.6 t80 -86.5 55.54 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t 57.91 87.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.072 . . . . 0.0 109.986 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.93 156.8 28.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.69 24.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.592 1.838 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.8 p -89.56 -59.48 2.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.3 p -156.84 114.69 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.053 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -171.0 120.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 110.002 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -103.66 155.83 18.26 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.96 107.26 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.07 139.65 38.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -151.18 77.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.96 -114.63 0.73 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -163.8 163.09 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 0.824 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.82 151.09 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.37 118.76 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -147.13 79.37 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -104.89 153.96 20.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -169.17 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -153.49 32.85 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -81.18 160.54 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.14 159.33 42.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -111.34 112.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' CG2' HG23 ' A' ' 95' ' ' VAL . 22.4 t -92.15 95.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -99.5 135.36 41.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mp -118.88 149.34 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.3 -3.88 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' LYS . 3.7 tppt? -36.68 121.98 0.79 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.14 35.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.057 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.69 39.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 28' ' ' GLN . . . -132.6 146.22 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -58.15 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 1.3 mp -129.42 -162.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.59 22.9 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -168.34 160.73 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -117.53 146.94 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.538 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -104.78 156.55 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 7.4 ptt180 -159.46 173.02 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ARG . . . 60.38 141.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 81.32 1.33 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -148.9 77.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . 39.89 70.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -172.47 51.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 43.33 31.52 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.03 147.36 46.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.79 -177.79 19.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.4 mm -84.16 126.07 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.58 0.812 . . . . 0.0 109.395 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -125.74 152.51 45.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 48' ' ' VAL . 4.9 mm -67.49 111.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.489 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -75.43 -57.97 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.65 146.39 30.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.573 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 24.3 t -128.55 131.56 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.79 126.06 91.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.0 Cg_endo -75.08 58.04 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 156.67 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.0 p -125.32 -171.41 2.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 110.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.54 -30.7 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -71.44 -43.19 67.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -54.5 -44.51 72.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -46.09 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.71 -35.29 2.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.54 34.75 1.05 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' A' ' 54' ' ' ALA . 14.6 mt -94.45 137.44 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 0.839 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -143.27 138.15 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 113.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.59 -23.14 5.42 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.86 127.81 32.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.34 0.67 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 65' ' ' VAL . 16.4 tt0 -85.46 149.53 25.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 30.1 t -109.5 93.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 mt -55.61 -66.56 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.43 163.65 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 73' ' ' PHE . 66.9 t -132.27 105.53 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 62.4 m-80 56.78 49.32 14.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.46 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.6 127.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.49 136.76 39.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -109.63 -19.91 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -41.08 -33.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.16 79.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 84' ' ' ILE . 3.8 tt -141.15 161.47 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -80.81 142.48 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.538 ' CD2' HD12 ' A' ' 33' ' ' ILE . 42.8 t-80 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -40.2 48.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -54.05 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -49.1 -46.72 45.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.46 -62.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.59 -53.86 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 76' ' ' ILE . 37.5 mt -40.38 -60.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.78 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mppp? -43.15 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 84' ' ' ILE . 81.4 p -41.05 -48.38 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 104.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -48.76 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -119.71 129.06 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -83.59 124.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.56 73.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.505 ' SD ' ' CG1' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -99.79 161.61 13.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.7 ttp180 -107.65 113.93 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.505 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 32.7 m -111.99 166.09 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -155.2 129.39 8.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 5.9 p90 -38.31 119.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -145.64 53.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.2 p -170.24 104.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.82 177.23 16.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.575 1.172 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 128.03 11.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -60.57 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.43 105.97 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 O-C-N 124.452 1.095 . . . . 0.0 111.069 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -60.07 94.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 0.776 . . . . 0.0 110.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -58.9 -58.62 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 123.11 1.18 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -101.72 151.88 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.3 149.67 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.935 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.85 133.36 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -135.24 93.32 2.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -42.73 153.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -155.55 71.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.37 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 47.13 68.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -53.9 165.49 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -170.36 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -158.36 32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.34 154.92 63.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 161.39 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.3 mm -119.37 117.45 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.71 100.3 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -98.14 128.34 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -121.44 176.21 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' LYS . 2.3 tttt -111.43 -74.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 58.95 119.28 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.42 31.36 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.441 1.758 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 54.65 3.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.432 1.754 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.5 38.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -136.09 151.91 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -62.48 -138.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 2.8 tp -128.68 -65.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.55 8.75 8.92 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 15.2 p90 -167.94 159.71 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 17.6 m-20 -112.17 141.08 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.0 OUTLIER -103.48 152.72 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -156.55 151.03 25.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . 83.3 140.82 4.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.92 82.08 0.04 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -160.04 170.57 21.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.95 91.84 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.18 50.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 62.63 29.01 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.07 -159.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . 153.9 -167.72 32.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 73' ' ' PHE . 18.4 mm -87.0 127.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -137.11 128.84 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.426 HD13 ' CD2' ' A' ' 59' ' ' LEU . 25.3 mm -45.63 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.5 -62.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HE3' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -146.14 153.27 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.229 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -134.53 135.16 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.463 ' CD1' ' HE3' ' A' ' 47' ' ' LYS . 7.8 mm -66.31 126.94 92.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 56.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 156.43 46.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.0 p -125.36 -176.73 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.45 -30.75 63.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.71 -38.97 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -62.49 -29.51 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.679 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -85.72 -37.74 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.18 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.63 26.27 3.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 45' ' ' ILE . 13.0 mt -82.16 137.04 35.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.62 146.88 34.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.78 109.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 98' ' ' PHE . . . 126.54 -24.5 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.08 97.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -65.52 127.0 30.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG13 ' CG2' ' A' ' 68' ' ' VAL . 19.4 t -88.09 94.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 81.2 mt -55.54 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.13 161.22 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.579 HG21 ' CD2' ' A' ' 73' ' ' PHE . 53.9 t -134.26 107.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 31.5 m-20 51.87 53.52 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.5 t0 82.8 -51.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.2 t -53.98 120.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -76.91 131.77 38.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' HG21 ' A' ' 68' ' ' VAL . 1.3 m-30 -98.23 -4.33 35.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.3 -33.89 21.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -142.81 80.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 4.0 tt -144.57 157.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.78 151.72 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 9.2 t-80 -60.82 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 93.7 p -47.66 -23.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 78' ' ' HIS . 1.4 tptt -80.85 -50.58 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.545 ' CB ' ' CE2' ' A' ' 73' ' ' PHE . . . -61.39 -50.82 71.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 79' ' ' SER . 7.4 p -54.98 -54.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 23.1 mt-10 -54.62 -56.37 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.3 mt -38.35 -57.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 91' ' ' ILE . 74.4 mt -49.37 -67.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -47.32 -71.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' LYS . 69.1 p -38.19 -56.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 132.14 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -42.61 75.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.06 127.51 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 85' ' ' LEU . 6.1 mt -90.73 126.07 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.44 77.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.9 163.08 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.2 ttt180 -107.15 125.77 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.0 m -121.27 158.58 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -158.3 151.56 23.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -41.45 152.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 35.9 p90 -132.1 9.03 4.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.77 -53.76 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.948 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.18 -145.35 26.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.437 1.085 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 160.4 40.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.65 111.18 18.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.3 m -104.33 104.64 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.09 . . . . 0.0 110.994 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -43.83 131.13 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -172.58 148.62 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.64 135.78 2.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -116.93 169.23 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 0.711 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -146.83 142.12 27.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.57 -142.11 6.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -177.54 111.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -131.25 159.45 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.391 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -128.23 88.96 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 mt -141.52 75.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -129.72 130.51 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.462 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 14' ' ' PHE . 21.6 mm100 -155.0 -51.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 14.6 p90 -162.12 26.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.05 157.62 40.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.51 7.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -135.66 150.19 49.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -103.02 109.3 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.55 95.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.2 129.22 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.3 157.42 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 23' ' ' LYS . 3.2 mttt -103.3 6.0 37.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -33.71 121.56 0.49 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.057 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.74 34.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.51 1.795 . . . . 0.0 111.049 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.62 40.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.4 -175.05 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -112.89 158.84 19.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.2 mp -52.22 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.82 10.19 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 9.7 p90 -159.05 157.25 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 29.8 m-80 -103.07 150.92 23.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -117.44 158.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -159.59 174.38 14.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.51 -163.09 13.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.405 1.065 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.24 130.75 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.72 175.35 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.21 -61.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -39.83 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.32 -54.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.16 -156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.39 166.56 38.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.9 mm -81.65 136.27 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -134.14 164.52 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.8 mm -80.86 87.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -52.45 -60.69 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 157.14 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 80.2 t -134.05 135.38 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.419 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.0 mm -66.83 128.9 94.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.95 55.12 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER 154.67 50.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 p -128.43 -177.03 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ALA . 3.8 m-20 -71.71 -32.3 67.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -54.5 24.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 1.2 t-160 -46.64 -35.26 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -39.5 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -51.07 -30.58 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.31 38.29 1.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.409 1.068 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -95.79 144.12 26.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -146.65 133.61 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -46.01 115.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.98 54.08 0.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.83 108.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.23 132.64 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 93' ' ' MET . 99.0 t -104.12 93.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.38 -67.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -129.71 170.03 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.576 HG23 ' CE2' ' A' ' 73' ' ' PHE . 2.5 t -141.27 107.33 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 81.22 -51.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.188 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.01 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.39 157.77 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.81 126.75 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE2' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -101.57 33.54 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -88.5 -15.89 34.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -164.06 72.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.5 tt -125.11 162.3 27.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.65 144.08 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CD2' HD12 ' A' ' 33' ' ' ILE . 32.0 t-80 -51.95 -64.51 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.638 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 -47.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.41 -54.6 41.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' CB ' HD11 ' A' ' 33' ' ' ILE . . . -51.9 -39.95 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 33' ' ' ILE . 4.8 t -72.51 -25.93 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.0 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -42.55 -57.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.6 mt -46.8 -62.63 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -45.43 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 p -39.16 -71.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.87 109.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 11.1 ptm180 -50.93 -39.17 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.4 pt-20 -121.11 125.9 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 mt -87.91 121.19 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -123.83 78.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.477 ' CE ' HG21 ' A' ' 65' ' ' VAL . 1.2 ptp -99.66 137.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.471 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.2 ttp180 -99.71 103.97 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 23.3 m -102.5 163.81 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -156.55 139.19 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -37.49 113.53 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.32 48.7 2.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 m 62.27 134.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.54 152.56 19.5 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.411 1.069 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.98 3.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.4 94.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m 63.25 160.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.016 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -168.11 167.51 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.039 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.88 162.82 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.83 -167.65 12.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -169.53 155.1 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 155.68 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.47 -171.03 14.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 163.31 28.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.13 -62.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -170.49 105.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -143.26 67.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -99.47 116.33 31.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.47 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 4.9 pm0 -149.47 -44.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -167.37 29.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -83.02 145.03 48.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.0 134.46 17.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' CG ' HG21 ' A' ' 95' ' ' VAL . 15.5 ptp180 -91.99 166.96 12.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mm -120.17 125.92 74.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' CG2' HG23 ' A' ' 95' ' ' VAL . 84.9 t -112.36 96.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -95.0 135.46 36.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.79 156.17 21.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 2.3 tttt -105.38 -11.66 16.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -37.91 130.76 0.93 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.17 40.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 111.039 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.15 4.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.05 40.23 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.75 171.53 13.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -68.91 116.32 9.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 1.2 tp -40.25 -61.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.75 6.04 28.88 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 4.5 p90 -162.71 159.07 23.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 35.0 m-80 -114.77 147.91 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 1.1 pp -111.91 150.41 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -150.35 171.04 17.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.2 -175.1 24.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.07 -131.99 7.44 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.32 170.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLN . . . -69.73 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t 55.34 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -157.53 -77.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' GLN . 1.0 OUTLIER 39.43 -147.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . 161.31 -177.97 37.42 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.73 139.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 86.4 m-85 -138.97 144.46 38.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.9 mm -63.65 89.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.57 -61.72 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -144.42 162.68 35.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.432 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 75.2 t -134.69 125.81 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.3 mm -65.94 125.88 90.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' PRO . 5.7 p-10 166.71 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.4 p -128.14 -168.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.41 -35.88 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -64.83 -39.03 92.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.401 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 19.0 t-160 -55.59 -43.27 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.7 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 -33.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.49 23.38 4.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 19' ' ' VAL . 11.3 mt -77.67 139.28 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -132.92 143.32 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.18 101.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.76 40.16 0.54 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.2 104.91 12.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 0.791 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.35 129.81 41.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 68' ' ' VAL . 57.8 t -95.77 100.22 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.5 mt -56.75 -64.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.79 161.61 35.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 73' ' ' PHE . 55.4 t -134.32 105.26 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 29.4 m-80 57.59 52.49 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.8 t70 81.93 -53.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -54.18 125.62 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.35 145.53 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' HG22 ' A' ' 68' ' ' VAL . 1.1 m-85 -114.52 -12.37 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.39 -26.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PHE . 35.7 t0 -147.25 71.39 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.8 tt -127.67 156.36 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -81.4 138.32 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.2 t-80 -44.67 -59.81 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.94 -49.88 38.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.385 1.053 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . . . -47.8 -52.21 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -55.94 -44.07 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -65.08 -61.75 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' GLU . 46.0 mt -40.54 -65.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -63.57 -74.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.6 p -38.42 -56.5 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.83 107.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -40.8 46.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -122.32 130.52 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.99 129.72 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 68.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.404 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.21 170.13 10.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -110.26 137.56 47.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.452 HG23 ' CG2' ' A' ' 19' ' ' VAL . 17.3 m -135.88 161.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -161.89 137.92 7.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.363 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.63 111.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -96.23 62.63 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t 43.09 86.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.37 148.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 70.07 5.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 p -171.51 164.05 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.21 -53.57 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.84 154.45 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.29 123.4 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.63 111.14 2.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.89 166.38 26.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.15 122.71 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.27 152.49 10.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -135.62 95.17 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.96 109.57 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.19 119.63 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 43.64 71.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 t -64.41 134.27 54.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 59.5 mm-40 -155.55 -44.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 21.3 m-85 -156.63 35.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.23 162.96 5.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -178.79 4.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 157.87 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -108.21 110.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 38.5 t -100.71 96.96 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 138.16 31.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mp -107.16 163.03 13.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.89 -14.25 14.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -37.97 130.59 0.95 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 18.4 Cg_endo -74.96 160.88 39.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.41 1.742 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.25 4.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.07 40.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.092 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -143.09 168.68 19.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.98 121.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 1.4 tp -42.7 -51.87 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.86 1.71 42.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 7.8 p90 -158.35 159.84 36.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -108.6 151.37 26.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.6 pp -118.45 143.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -146.86 176.76 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.39 -155.38 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.91 -104.16 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt 76.2 168.47 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 0.757 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.83 -59.02 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.05 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.11 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 172.57 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 42.25 -147.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.79 178.26 29.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.7 mm -91.1 133.81 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 22.9 m-85 -132.14 160.43 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 15.1 mm -71.94 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 159.34 43.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 67.3 t -133.96 130.82 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.5 127.14 93.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 55.38 3.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER 162.86 43.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 p -125.82 -175.41 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.82 -34.9 57.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.02 86.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.73 -38.98 73.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.547 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -43.69 14.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.32 -36.04 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.55 38.42 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD1' ' CG1' ' A' ' 19' ' ' VAL . 4.3 mp -94.25 142.71 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -144.32 138.71 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.25 104.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.1 -40.07 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -48.13 139.32 8.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.578 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 4.8 tt0 -104.56 139.71 39.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 68' ' ' VAL . 25.1 t -96.8 104.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.79 -63.03 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.49 157.95 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 73' ' ' PHE . 83.7 t -136.85 109.98 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.4 33.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.93 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.2 t -112.17 136.76 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.78 115.23 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -101.91 -16.37 16.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -42.35 -27.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.9 m-20 -146.16 79.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.2 tt -136.26 153.64 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -74.74 141.15 44.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.423 ' CD2' HD11 ' A' ' 33' ' ' ILE . 32.1 t-80 -46.16 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.94 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' CG ' HD11 ' A' ' 84' ' ' ILE . 0.9 OUTLIER -53.84 -48.7 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -60.99 -43.9 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 90.9 t -60.04 -49.04 85.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.69 -59.17 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.211 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 80' ' ' LYS . 38.6 mt -41.29 -64.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.19 -48.91 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -60.59 -71.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 89' ' ' ARG . 81.9 p -40.67 -63.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.83 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -39.19 -51.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.54 128.26 55.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.2 mt -83.66 127.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.35 73.8 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.11 160.34 14.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -108.91 113.99 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.0 m -108.24 161.48 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -148.91 139.3 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.55 106.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -110.26 65.33 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.35 94.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.007 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.15 -147.38 21.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.68 27.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 t 54.86 73.2 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.1 p -140.24 142.74 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -134.2 167.22 21.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.9 145.06 17.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.59 67.72 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 p -140.99 164.32 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 0.83 . . . . 0.0 110.066 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -50.71 132.94 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.17 109.18 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.42 1.075 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.46 109.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -174.46 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 68.39 124.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.36 77.23 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.4 m -72.17 142.82 49.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -154.43 -46.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -162.05 26.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.14 154.39 30.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.778 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.1 mm -109.57 107.95 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.0 t -95.23 96.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -87.84 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tp -105.22 169.23 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -114.3 -12.08 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.621 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -39.22 129.42 1.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 23' ' ' LYS . 18.4 Cg_endo -75.02 157.97 42.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.569 1.826 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.36 4.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.24 40.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.28 174.52 13.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.91 149.23 49.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' CD1' ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -70.72 -71.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.82 -2.81 6.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 43.6 p90 -146.72 162.63 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 0.806 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' SER . 40.3 m-80 -112.16 133.55 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.9 pt -103.11 150.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -156.14 174.25 15.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.26 -166.63 24.51 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.94 -145.08 18.64 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.41 168.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.799 . . . . 0.0 109.355 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.73 95.72 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -179.96 48.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 59.26 61.64 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.79 -165.02 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -156.47 23.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.42 132.09 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 74.9 m-85 -135.55 150.29 49.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 59' ' ' LEU . 11.1 mm -68.82 76.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -39.31 -61.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 160.45 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 55' ' ' HIS . 54.3 t -127.63 135.31 63.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.76 127.68 93.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.08 55.6 4.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 5.7 m-20 155.42 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -134.28 172.84 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ALA . 9.6 m-20 -62.55 -31.07 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 59' ' ' LEU . . . -67.32 -29.78 69.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.525 ' CD2' HG11 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -78.22 -36.27 47.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.587 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.13 -15.84 39.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -82.4 -5.37 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 -5.45 76.05 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 5.3 tp -51.52 141.52 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -149.26 173.22 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.5 117.07 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.71 -29.16 5.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.9 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.6 tt0 -70.67 132.0 44.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t -88.17 98.4 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.67 -64.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.18 158.45 43.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.55 HG23 ' CD2' ' A' ' 73' ' ' PHE . 98.6 t -136.43 134.08 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.541 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER 40.83 39.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 3.3 m-20 85.95 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' VAL . 22.0 t -56.49 122.21 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.86 140.14 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD2' HG23 ' A' ' 68' ' ' VAL . 2.2 m-30 -109.81 3.52 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.55 -20.41 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -165.95 80.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 73' ' ' PHE . 13.0 tt -134.47 159.45 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.48 146.29 48.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -57.99 -50.29 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -49.83 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.75 72.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -54.26 -38.46 65.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 33' ' ' ILE . 33.6 t -73.24 -41.82 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 84' ' ' ILE . 1.5 mp0 -66.1 -61.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.445 ' CD1' HD12 ' A' ' 76' ' ' ILE . 14.3 mt -40.32 -57.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.0 mt -47.18 -55.43 8.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 mttp -59.75 -69.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' LYS . 66.7 p -38.35 -55.24 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' ARG . . . -55.92 99.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' ALA . 18.8 ptt180 -37.89 -47.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.65 126.17 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.17 124.04 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.65 76.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.06 162.96 12.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 mtp180 -113.43 115.64 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.0 m -110.53 162.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.85 130.16 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.39 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 29.9 t80 -92.64 60.5 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 t -178.38 139.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.77 173.33 23.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.35 36.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.85 -58.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.6 t -76.94 97.34 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -158.67 162.36 37.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -145.57 169.13 19.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.56 137.05 16.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.64 165.82 18.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.727 . . . . 0.0 110.011 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -126.5 142.06 51.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.03 79.36 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.591 1.182 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -157.19 -52.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.91 156.54 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.44 50.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -114.96 49.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -76.41 113.56 14.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 34.9 mt-30 -151.49 -47.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 2.5 m-85 -159.01 33.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.74 158.39 1.62 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.38 157.82 45.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HD12 ' NE ' ' A' ' 94' ' ' ARG . 3.4 mm -112.89 112.68 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -103.56 95.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.78 135.96 37.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.76 155.11 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' LYS . 10.2 tttm -89.83 -70.38 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CE ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER 61.4 126.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.82 36.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.36 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.35 41.73 1.34 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.63 165.58 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.52 25.52 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' HG ' ' CE1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 66.09 140.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.56 7.72 56.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 3.7 p90 -152.11 175.88 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -119.54 156.24 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.519 HD11 ' CD2' ' A' ' 78' ' ' HIS . 1.1 pt -128.6 137.6 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -138.16 178.29 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.59 148.98 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 131.27 150.28 6.67 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER 39.85 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.05 -64.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -153.47 81.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 41.43 37.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.9 158.04 15.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.11 -153.35 9.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -106.86 142.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 88.9 m-85 -144.37 154.04 42.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -71.23 78.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -46.14 -56.34 5.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -146.46 160.84 41.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 73.5 t -134.12 136.08 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.07 124.24 87.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.447 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.05 55.4 3.96 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER 160.03 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.087 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -127.59 -171.4 2.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -77.44 -35.83 53.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.31 94.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -55.57 -33.3 63.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.0 -42.0 12.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.74 -29.47 1.93 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.08 31.62 2.62 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 142.8 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 0.804 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -146.41 140.37 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -49.38 105.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.18 -31.82 1.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.595 1.185 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.38 134.73 56.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.786 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 4.8 tt0 -107.27 137.73 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.1 t -87.98 111.44 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.74 -62.15 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -149.94 150.97 32.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.698 ' CG1' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -134.26 131.64 55.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 61.7 m-80 48.22 30.18 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 78.9 34.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 93.1 t -108.89 153.92 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -105.22 101.96 11.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.698 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 5.6 m-85 -86.29 -26.16 25.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PHE . 34.0 mt-30 -38.47 -37.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.94 73.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 84' ' ' ILE . 2.2 tt -130.84 162.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' LYS . 12.9 mp0 -86.96 130.45 34.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' HD11 ' A' ' 33' ' ' ILE . 43.2 t-80 -39.41 -50.56 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -45.89 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -64.68 -45.64 85.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.3 -47.58 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.89 -29.5 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.53 -61.39 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.218 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 68' ' ' VAL . 6.3 mt -40.17 -47.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mt -62.0 -68.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' THR . 16.6 mttt -42.04 -69.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 42.7 p -37.48 -71.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' LEU . . . -56.01 119.46 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 33.7 ptt-85 -56.36 -49.18 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 9.2 pt-20 -107.43 122.62 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.472 ' CG2' HD23 ' A' ' 85' ' ' LEU . 4.4 mt -91.38 106.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.32 71.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.494 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -91.1 157.47 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.406 ' NE ' HD12 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -107.26 106.74 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 m -98.35 158.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -153.57 135.43 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.24 99.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -104.27 67.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.0 155.8 26.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.71 26.4 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 86.9 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -62.98 153.52 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.704 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.457 HD12 ' HD2' ' A' ' 94' ' ' ARG . 2.5 mm -116.32 112.55 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.82 HG11 HD13 ' A' ' 59' ' ' LEU . 75.3 t -97.02 95.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -96.81 135.5 38.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -169.1 161.7 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 0.745 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.0 m-20 -111.68 169.77 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.376 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -132.28 139.37 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -123.81 172.43 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.6 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 35' ' ' GLY . 24.7 mm -98.86 110.64 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 37.2 m-85 -120.8 164.4 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.5 mm -71.97 90.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 1.1 p -56.0 -59.92 4.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 46' ' ' SER . 28.4 ttpt -145.47 151.27 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.1 t -127.69 132.03 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mm -66.04 128.0 93.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 56.17 4.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.6 m-20 157.64 49.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.7 p -131.23 -175.71 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -69.41 -39.99 77.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.51 -53.22 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -47.84 -33.65 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.8 -41.77 14.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.52 6.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.78 32.62 4.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.059 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.82 HD13 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -81.14 144.31 31.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -145.72 133.38 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -46.46 99.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.5 -34.12 1.52 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.5 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -65.37 142.48 58.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 12.2 t -100.24 97.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.57 -64.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.37 156.69 47.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.0 t -129.52 113.14 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 11.9 m-80 57.93 48.05 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 12.2 t0 83.47 -50.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.64 131.28 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.03 144.19 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -116.1 29.37 8.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.42 -31.82 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -140.31 74.53 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tt -139.97 156.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.37 155.12 41.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 22.1 t-80 -63.41 -49.64 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -42.5 73.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -61.51 -46.42 90.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.704 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.33 -38.08 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 33' ' ' ILE . 54.2 t -74.32 -44.13 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 87' ' ' THR . 2.2 mt-10 -62.69 -59.93 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.92 -67.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.0 mt -41.0 -57.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' THR . 23.1 mttt -53.43 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' GLU . 67.4 p -37.79 -61.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.68 113.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.78 -47.1 74.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.95 128.39 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.2 mt -86.93 131.27 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 72.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.912 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.02 164.01 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -102.89 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' CG ' ' A' ' 17' ' ' ARG . 10.0 m -117.34 162.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -159.39 154.79 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.224 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 12.9 p90 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.4 mm -116.37 115.72 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.4 95.96 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.852 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -95.19 133.02 39.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 57' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -163.1 156.79 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.404 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 33.4 m-20 -107.72 143.81 35.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -107.92 147.39 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -139.99 177.95 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 mm -101.65 139.53 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -145.24 161.08 40.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 59' ' ' LEU . 5.1 mm -71.87 102.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -64.9 -58.68 5.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.907 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 154.38 41.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 76.2 t -132.34 138.35 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.5 mm -66.35 124.87 89.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.95 56.65 4.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 155.66 45.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.1 p -127.35 -172.89 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.568 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 m-20 -77.67 -34.36 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.871 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.4 -47.94 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -53.03 -41.41 64.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.594 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.69 -43.94 29.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.679 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -45.45 -29.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 25.59 4.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.2 mt -82.69 143.6 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -142.76 146.72 34.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.17 103.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.11 35.87 0.91 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.145 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.36 118.73 37.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 1.9 tt0 -70.91 127.44 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.694 HG13 ' SD ' ' A' ' 93' ' ' MET . 60.1 t -97.04 98.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.44 -65.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 154.37 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 93' ' ' MET . 32.7 t -126.24 119.8 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m120 59.63 28.22 17.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER 77.87 23.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.65 122.87 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.55 111.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.74 -24.65 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.5 -28.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' PHE . 77.4 m-20 -138.33 73.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 tt -136.36 162.25 35.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -89.66 140.79 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.89 -59.52 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.546 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 -47.89 23.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -46.32 90.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.696 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -55.41 -53.01 61.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.842 HG23 HD11 ' A' ' 33' ' ' ILE . 43.1 t -54.85 -49.3 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.1 mt-10 -58.81 -62.52 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 79.0 mt -39.95 -61.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.61 -61.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -47.82 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 87' ' ' THR . 67.4 p -38.55 -63.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.85 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -52.77 -38.78 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 6.4 pt-20 -123.31 126.96 47.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 20' ' ' THR . 22.7 mt -86.41 124.47 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.852 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -146.21 70.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.786 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -98.07 167.07 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 ttt180 -111.75 119.11 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.9 m -115.88 166.6 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.204 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 130.44 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 40.8 p90 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.1 mm -108.98 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 59' ' ' LEU . 14.5 t -92.25 96.99 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ILE . 6.2 m -96.57 139.8 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -163.07 160.77 24.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.543 0.79 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -103.87 156.89 17.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.358 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.908 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -124.36 131.69 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -124.57 174.75 7.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 35.3 mm -91.11 133.89 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.6 155.94 49.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.1 mm -69.25 90.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -58.88 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.35 158.58 43.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 95.4 t -133.91 131.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.06 126.37 92.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.511 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.01 54.76 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 163.71 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.8 p -126.0 -171.49 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.96 -39.85 49.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.18 -43.6 98.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.511 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 6.7 t-160 -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -89.4 -34.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -18.74 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 29.81 6.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -82.44 143.39 31.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.353 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -145.8 137.3 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.17 100.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.58 44.92 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.91 107.8 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.67 126.52 29.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -91.38 100.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -62.91 -64.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -133.01 167.95 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 3.7 t -141.28 126.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.0 m120 44.52 48.06 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.9 t0 82.51 -51.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.28 134.67 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.08 145.24 40.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -117.3 -8.7 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -49.58 -23.87 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -149.65 68.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.548 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.8 tt -128.15 156.5 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.6 143.82 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 17.1 t-80 -51.74 -57.36 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -40.87 71.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -43.85 98.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -64.47 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.908 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -66.82 -45.46 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 87' ' ' THR . 0.5 OUTLIER -63.38 -62.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.8 mt -40.99 -67.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.1 mt -40.99 -66.6 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -44.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -37.89 -59.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.78 108.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 9.9 ptp180 -52.33 -39.08 60.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 10.1 pt-20 -121.73 125.97 47.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 20' ' ' THR . 7.3 mt -83.46 140.48 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 8.8 t -148.15 77.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -108.33 148.24 30.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.6 ttt180 -103.6 108.99 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.24 163.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -158.5 136.72 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.18 135.58 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 59' ' ' LEU . 15.0 t -121.44 96.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -94.25 127.69 40.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.454 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.603 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 41.2 p90 -164.06 167.21 20.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -119.08 146.35 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.885 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.4 pt -104.87 155.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 6.5 ptt180 -154.67 159.9 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.799 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.396 1.06 . . . . 0.0 111.071 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.9 mm -87.86 137.53 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 32.5 m-85 -141.4 150.08 41.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.571 ' CG2' HG23 ' A' ' 48' ' ' VAL . 9.2 mm -62.89 94.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -60.81 -58.62 7.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -145.7 151.77 38.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.571 HG23 ' CG2' ' A' ' 45' ' ' ILE . 59.2 t -130.94 134.15 62.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.97 124.14 86.91 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.394 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.97 58.75 4.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.8 m-20 156.07 45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -127.4 -171.57 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HB2' HD23 ' A' ' 21' ' ' LEU . 4.8 m-20 -76.77 -32.4 57.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.652 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -67.7 -46.83 71.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 t-160 -53.25 -26.11 16.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -98.73 -32.09 11.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -57.7 -20.86 37.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 34.15 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -91.34 144.2 25.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.43 139.89 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.77 104.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.15 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.86 111.95 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.2 tt0 -67.13 125.09 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.691 HG13 ' SD ' ' A' ' 93' ' ' MET . 24.2 t -94.66 95.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.65 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.69 165.8 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 93' ' ' MET . 50.6 t -137.64 108.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 12.6 m120 58.69 47.0 13.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.2 t0 83.93 -50.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -54.08 122.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.53 130.4 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.664 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -97.25 -9.91 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -47.17 -26.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -150.41 82.8 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 84' ' ' ILE . 2.9 tt -143.31 161.71 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.51 147.27 30.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.556 ' O ' HD11 ' A' ' 33' ' ' ILE . 21.1 t-80 -55.33 -61.98 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -39.31 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -50.45 67.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.885 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.96 -42.22 75.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.067 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.455 HG23 HD11 ' A' ' 33' ' ' ILE . 13.9 t -65.91 -47.94 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -61.53 -56.58 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 76' ' ' ILE . 94.0 mt -41.12 -57.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.603 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 25.4 mt -48.99 -63.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 21.1 mttt -51.53 -69.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.1 p -38.7 -42.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.99 106.71 3.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 5.5 ptp180 -45.34 -50.56 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 4.4 pt-20 -118.05 129.69 55.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 20' ' ' THR . 5.2 mt -83.31 149.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 63.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.7 ptp -94.56 160.54 14.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -109.94 112.31 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 33.3 m -109.39 173.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -162.64 153.34 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.594 HH11 HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mm -108.52 109.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG13 ' HB1' ' A' ' 57' ' ' ALA . 51.6 t -92.69 97.47 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.8 m -94.66 133.56 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 57' ' ' ALA . 5.9 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' C ' HG12 ' A' ' 49' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 25.9 p90 -166.93 163.28 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -117.44 157.28 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.903 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.2 pt -113.3 152.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -149.08 159.1 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 73' ' ' PHE . 33.0 mm -100.61 146.47 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 88.2 m-85 -149.97 140.39 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.3 mm -56.81 104.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -62.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -141.13 146.31 36.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 65.4 t -130.69 129.52 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 ' C ' ' A' ' 30' ' ' GLY . 5.7 mm -65.88 130.33 94.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.49 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.94 53.51 3.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 163.57 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -179.26 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.21 -36.54 71.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.96 -44.91 79.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 8.6 t-160 -54.69 -30.24 55.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -91.91 -29.69 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.66 -31.74 72.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.09 34.41 1.14 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 54' ' ' ALA . 1.6 mp -91.02 140.71 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -148.59 138.85 22.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.49 103.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.0 -18.9 3.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.16 116.03 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 11.5 tt0 -77.27 147.2 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 ' SD ' ' A' ' 93' ' ' MET . 21.7 t -107.53 98.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.88 -65.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.99 159.36 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.901 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.8 t -135.68 107.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 17.3 m120 58.95 51.9 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.0 t0 81.84 -52.98 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.08 126.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.69 152.67 43.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.625 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -124.89 23.52 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -28.92 31.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 1.5 p-10 -149.74 85.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 ' HG2' ' A' ' 80' ' ' LYS . 11.5 tt -149.65 157.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.96 145.63 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.596 ' O ' HD11 ' A' ' 33' ' ' ILE . 3.7 t-80 -61.15 -50.76 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.202 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -33.36 66.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.744 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -68.49 -52.58 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.903 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -48.98 -45.74 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 33' ' ' ILE . 49.6 t -61.7 -63.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.71 -50.9 31.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.5 mt -43.51 -54.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -55.88 -53.64 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -52.31 -61.53 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -57.33 -21.92 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.9 93.68 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.36 -39.7 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.02 125.63 44.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.89 141.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.63 61.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.901 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.8 ptp -91.85 161.31 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 2.1 ttp180 -112.9 110.25 20.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG23 HH11 ' A' ' 17' ' ' ARG . 34.7 m -105.25 165.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -163.81 127.36 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.3 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 94' ' ' ARG . 1.2 mm -110.14 144.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 59' ' ' LEU . 26.5 t -135.7 95.88 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.543 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.0 OUTLIER -86.29 128.73 34.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.812 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -150.16 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -114.03 136.91 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.749 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -105.96 152.06 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -148.7 174.38 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.747 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.3 mm -93.13 122.08 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 49.1 m-85 -133.19 146.4 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.3 mm -60.48 85.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -50.5 -59.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.92 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 74.7 t -132.94 133.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.7 128.05 93.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.06 56.49 4.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.6 m-20 154.97 50.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -133.75 -176.36 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.512 ' HB2' HD23 ' A' ' 21' ' ' LEU . 1.3 m-20 -68.47 -37.57 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -61.89 -52.09 65.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -48.52 -27.96 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -95.78 -31.1 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -59.44 -22.51 61.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.12 18.39 17.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 142.28 55.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.241 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -141.94 130.49 22.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -47.25 105.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.54 2.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.606 1.191 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -52.14 102.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.3 tt0 -66.31 126.41 28.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 40.1 t -84.44 88.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 95' ' ' VAL . 4.1 mm? -49.32 -67.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.65 158.97 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.714 HG22 ' HB3' ' A' ' 93' ' ' MET . 86.9 t -125.71 122.88 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m-80 54.72 29.42 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 78.22 27.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 68' ' ' VAL . 21.6 t -113.63 121.48 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 2.5 p30 -57.46 114.48 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -103.48 -15.53 15.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -41.88 -28.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.1 t0 -150.76 93.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 80' ' ' LYS . 11.0 tt -150.83 158.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.44 133.96 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 38.5 t-80 -43.75 -56.69 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.36 -53.91 15.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.16 -54.93 17.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -47.17 -51.16 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.404 HG23 HD11 ' A' ' 33' ' ' ILE . 49.0 t -62.88 -57.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -47.97 -58.45 4.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' ALA . 10.8 mt -41.0 -67.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.98 -54.75 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -52.58 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.387 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -52.05 -20.49 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -88.02 107.55 18.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 2.8 ptp180 -50.37 -51.11 48.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.28 126.78 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' THR . 57.7 mt -89.93 123.61 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -145.58 68.11 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.714 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.34 163.92 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.495 ' HG3' HD13 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -108.24 133.82 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.508 ' HA ' HD23 ' A' ' 66' ' ' LEU . 29.7 m -128.13 172.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.97 144.95 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.614 HD13 ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -111.93 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 59' ' ' LEU . 99.5 t -92.67 96.19 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' ILE . 1.9 m -98.35 134.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 54' ' ' ALA . 3.2 mp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.511 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 36.3 p90 -163.28 153.2 15.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' LYS . 31.3 m-20 -106.22 164.1 12.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -128.13 138.77 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 27.0 ptt85 -127.85 162.03 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 29.0 mm -128.21 110.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 94.2 m-85 -118.47 150.39 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.8 mm -68.14 91.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -56.91 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -146.87 135.93 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 142.93 38.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 49' ' ' ILE . 5.6 mm -66.15 120.86 73.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.07 51.83 2.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 22.8 t0 173.2 39.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -132.69 171.75 13.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.87 -40.72 61.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -60.48 -71.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 50' ' ' PRO . 9.1 t-80 -42.61 -48.35 5.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.584 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -38.34 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -57.62 -21.04 37.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.14 27.44 3.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' A' ' 54' ' ' ALA . 3.1 mp -79.28 141.37 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -150.93 134.03 16.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.71 100.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.63 41.1 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -116.81 103.86 10.75 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.567 0.804 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.1 tt0 -65.41 139.56 58.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 68' ' ' VAL . 94.5 t -103.34 88.65 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.77 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 156.81 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.3 t -125.89 108.02 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 45.8 m-80 60.3 45.72 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.7 t0 85.2 -47.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.91 128.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -73.94 138.68 44.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -112.9 -7.41 13.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.75 -25.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -148.67 78.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 80' ' ' LYS . 3.5 tt -133.88 160.08 42.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.01 145.13 30.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.0 t-80 -52.05 -64.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.33 -40.53 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.73 -51.85 67.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.827 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.06 -49.98 70.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.462 HG23 HD11 ' A' ' 33' ' ' ILE . 75.7 t -58.7 -49.45 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ILE . 3.5 mt-10 -60.06 -60.31 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 58.7 mt -40.4 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.3 mt -43.08 -49.45 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -62.16 -72.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -39.61 -57.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.43 108.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.63 -34.57 71.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -125.72 129.97 50.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 20' ' ' THR . 17.6 mt -95.47 139.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.85 68.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -94.5 168.0 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.614 ' HG3' HD13 ' A' ' 18' ' ' ILE . 4.7 mtt180 -112.16 108.0 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 35.2 m -106.05 169.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.4 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 15.0 ttt180 -164.12 137.83 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 19.3 p90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -108.2 112.01 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 59' ' ' LEU . 59.2 t -94.68 103.45 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.863 HG23 ' OG ' ' A' ' 92' ' ' SER . 0.8 OUTLIER -94.73 127.05 40.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 4.9 p90 -151.58 158.89 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.594 0.82 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.418 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 68.4 m-20 -108.89 142.26 39.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -109.25 156.99 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -156.24 176.43 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 73' ' ' PHE . 21.2 mm -89.86 123.91 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 27.2 m-85 -126.9 147.86 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.2 80.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -45.7 -62.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 160.65 41.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.24 137.46 56.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.55 HG22 ' OD1' ' A' ' 51' ' ' ASP . 29.1 mm -67.81 125.85 91.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.575 1.829 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD1' HG22 ' A' ' 49' ' ' ILE . 1.0 OUTLIER 154.26 48.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p -138.31 171.9 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ALA . 23.7 m-20 -63.66 -28.03 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.85 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -68.64 -23.95 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.384 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.508 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -86.24 -24.04 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.634 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.07 -23.55 16.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 56' ' ' ARG . . . -62.83 -46.41 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.25 44.65 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -102.29 141.69 34.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -137.35 134.63 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -49.09 103.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.51 -20.11 3.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -65.85 130.1 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 3.6 tt0 -96.81 133.29 41.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -89.18 105.24 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.59 -63.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.41 156.7 47.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.872 HG22 ' HB3' ' A' ' 93' ' ' MET . 39.4 t -132.97 105.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 8.1 m120 58.89 49.57 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.2 t70 83.06 -50.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.93 134.98 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.97 151.79 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -130.86 27.92 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.02 -22.99 36.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -157.2 91.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 84' ' ' ILE . 16.3 tt -148.49 159.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -74.43 132.84 42.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.497 ' O ' HD11 ' A' ' 33' ' ' ILE . 23.6 t-80 -41.82 -60.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.83 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.11 -54.94 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -46.81 -50.32 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.578 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -61.45 -48.27 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -57.04 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 76' ' ' ILE . 91.8 mt -43.17 -65.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -42.59 -46.0 4.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.81 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -48.06 -23.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.52 102.31 13.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -43.89 -50.86 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.77 126.83 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -84.63 125.07 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.863 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -147.99 77.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.872 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -100.11 170.36 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -117.32 121.06 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.534 HG22 HG23 ' A' ' 19' ' ' VAL . 18.7 m -114.49 166.8 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -164.3 128.28 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HG23 ' A' ' 95' ' ' VAL . 5.5 ptp180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.0 mm -116.59 135.22 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 59' ' ' LEU . 74.9 t -116.68 95.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.1 129.38 44.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 20' ' ' THR . 6.0 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HE1' HD13 ' A' ' 85' ' ' LEU . 5.0 p90 -160.38 162.97 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' SER . 27.1 m-20 -112.57 144.37 42.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -112.2 145.94 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 10.9 ptt180 -151.43 173.85 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 35' ' ' GLY . 47.9 mm -98.47 140.14 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 30.1 m-85 -143.58 150.61 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.7 mm -66.2 81.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -44.94 -56.9 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.955 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 161.49 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 53.2 t -133.55 136.4 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 mm -66.09 124.17 87.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.0 56.25 4.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER 158.88 44.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -127.81 -173.53 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 25.7 m-20 -76.12 -34.59 59.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -65.37 -38.84 91.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -61.03 -28.61 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -93.66 -38.78 11.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.29 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.4 23.08 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.7 mt -78.19 138.8 38.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 0.75 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.98 149.25 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.78 112.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.52 -2.12 8.15 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD2' HD23 ' A' ' 59' ' ' LEU . 2.5 m-20 -77.03 105.01 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.8 tt0 -70.68 132.46 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.74 HG22 ' SD ' ' A' ' 93' ' ' MET . 77.5 t -95.27 102.49 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.63 -64.22 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 163.02 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 93' ' ' MET . 63.7 t -137.53 105.51 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 20.9 m-80 56.8 53.13 8.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.0 t0 82.17 -52.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -53.78 125.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.4 136.26 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CE2' HG21 ' A' ' 68' ' ' VAL . 1.3 m-85 -102.97 -7.43 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -47.81 -26.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.43 71.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 84' ' ' ILE . 4.2 tt -131.58 156.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.48 146.29 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 33' ' ' ILE . 43.8 t-80 -54.28 -55.55 27.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -34.09 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.186 . . . . 0.0 110.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.21 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -57.12 -49.0 77.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' ILE . 39.6 t -56.56 -59.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -51.39 -60.4 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 76' ' ' ILE . 69.9 mt -39.75 -68.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD13 ' HE1' ' A' ' 31' ' ' PHE . 22.2 mt -40.49 -59.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' THR . 3.4 mtpm? -51.41 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.343 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' LYS . 10.3 p -38.07 -34.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -73.35 99.96 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 6.0 ptp180 -45.11 -45.15 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 5.6 pt-20 -121.31 128.37 52.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 20' ' ' THR . 34.0 mt -86.81 138.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -154.66 65.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.855 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -94.29 156.07 16.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.1 ttt180 -101.06 118.09 36.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 17' ' ' ARG . 29.5 m -117.68 158.9 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -152.08 139.69 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' C ' ' A' ' 17' ' ' ARG . 1.2 mp -100.63 124.04 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.573 HG23 ' CG2' ' A' ' 95' ' ' VAL . 73.2 t -98.81 95.11 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.8 m -97.82 134.18 41.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 19.2 p90 -162.9 157.95 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -114.95 155.31 27.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.739 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.1 pp -114.22 155.17 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 8.1 ptt180 -158.05 175.85 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 35' ' ' GLY . 46.1 mm -93.12 141.04 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 0.798 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 80.6 m-85 -136.98 134.27 36.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -50.73 107.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.47 -57.86 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.08 147.26 31.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 51.7 t -132.09 127.33 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.11 125.79 90.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.02 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 14.1 t0 172.7 40.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.8 p -130.76 170.7 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 16.6 m-20 -61.45 -30.99 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -67.99 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' HG12 ' A' ' 48' ' ' VAL . 4.3 t-160 -42.34 -50.16 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -48.35 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . -43.54 -29.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.91 34.77 1.11 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -90.83 141.7 28.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -149.57 133.83 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -44.82 107.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.91 -45.36 1.04 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.55 115.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -80.9 143.43 32.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 15.4 t -102.93 100.41 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.51 151.3 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.5 t -124.6 107.03 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 66.1 m-20 55.04 52.2 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.0 t0 83.42 -51.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -54.08 120.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.34 134.75 42.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.082 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.5 m-85 -103.4 -7.71 20.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -44.64 -35.53 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 89.18 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 80' ' ' LYS . 15.4 tt -150.69 158.02 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -75.1 149.24 39.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.538 ' O ' HD11 ' A' ' 33' ' ' ILE . 36.7 t-80 -56.55 -45.36 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -57.82 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -45.78 -57.52 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -49.86 -54.86 16.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.447 HG23 HD11 ' A' ' 33' ' ' ILE . 40.0 t -54.47 -54.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.7 mt-10 -54.42 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.653 HD11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 mt -40.27 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.1 mt -39.68 -53.11 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -57.07 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.3 p -38.32 -61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.5 107.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -55.46 -35.08 65.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.04 129.28 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' THR . 7.3 mt -92.09 141.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.422 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -166.37 74.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.17 159.85 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.66 128.1 42.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.573 ' CG2' HG23 ' A' ' 19' ' ' VAL . 17.3 m -131.69 155.53 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.376 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.76 141.8 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' VAL . 5.7 ptp180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 1.8 mm -102.89 152.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.226 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 HD11 ' A' ' 59' ' ' LEU . 63.7 t -139.39 95.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 m -101.08 135.35 42.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -159.71 159.87 33.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 19.9 m-80 -115.11 164.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.693 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.3 pp -124.6 146.7 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.418 1.074 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -138.06 169.87 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 23.4 mm -92.4 149.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 56.8 m-85 -152.91 139.99 19.29 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.4 mm -50.41 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -66.66 -58.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -145.14 153.9 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 88.6 t -134.23 132.19 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.97 125.22 89.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 59.39 5.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 155.86 45.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -127.19 -170.66 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.24 -31.76 38.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -70.17 -41.06 74.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -52.1 -47.76 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -39.15 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.35 -30.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.12 31.29 2.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -88.09 143.1 27.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.743 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -146.46 139.19 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.91 107.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 -25.84 4.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 107.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.552 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 1.9 tt0 -67.68 131.19 45.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.735 HG13 ' SD ' ' A' ' 93' ' ' MET . 94.0 t -90.14 93.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 95' ' ' VAL . 2.9 mm? -55.99 -66.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.39 147.26 32.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' CB ' ' A' ' 93' ' ' MET . 69.0 t -119.55 114.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.2 m-80 59.69 42.79 16.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.43 -44.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.98 124.98 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -72.01 125.77 28.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -100.63 7.55 43.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.79 -9.86 56.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -165.93 76.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 12.4 tt -141.18 154.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.44 159.17 24.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 19.9 t-80 -72.76 -51.7 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -35.02 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -44.59 35.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.693 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -60.2 -24.41 64.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 33' ' ' ILE . 31.9 t -84.53 -63.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 84' ' ' ILE . 9.7 pt-20 -44.91 -48.84 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 12.2 mt -45.32 -56.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.77 -35.03 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' THR . 19.4 mttt -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' LYS . 6.8 t -36.66 -40.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ILE . . . -60.35 95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 5.2 ptp180 -45.44 -42.75 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.2 pt-20 -124.61 125.4 44.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 20' ' ' THR . 6.9 mt -84.44 150.62 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.37 60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 110.034 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.842 ' CB ' HG22 ' A' ' 68' ' ' VAL . 3.5 ptp -91.96 165.26 13.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.6 mtt180 -108.57 128.29 54.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.329 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' HA ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -124.65 174.07 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.55 155.45 41.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.584 ' NE ' HG23 ' A' ' 95' ' ' VAL . 2.4 ptt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 94' ' ' ARG . 3.2 mm -113.58 115.29 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.89 96.13 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -96.68 135.07 39.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 ' CA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -164.07 158.28 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 0.726 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 4.1 m120 -109.05 139.58 43.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -106.33 132.89 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -129.79 170.59 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 33.0 mm -89.89 147.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 39.4 m-85 -149.45 161.3 42.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 59' ' ' LEU . 4.1 mm -76.19 97.63 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -58.44 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -146.01 152.9 40.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.8 t -129.87 132.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.15 125.03 89.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.09 56.07 4.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 161.0 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.1 p -125.79 -170.22 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.9 t70 -78.41 -38.92 40.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.08 -45.37 93.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -48.58 -44.63 36.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.54 -40.87 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -43.49 -31.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.37 29.79 2.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD12 ' HB1' ' A' ' 54' ' ' ALA . 15.4 mt -92.66 151.97 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -163.24 145.66 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.38 103.49 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.28 43.88 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.67 100.22 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.7 tt0 -65.93 128.81 37.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.33 107.76 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.2 mm? -67.69 -62.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.91 161.5 37.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' A' ' 93' ' ' MET . 73.0 t -135.82 105.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 14.1 m-80 61.33 52.32 3.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.0 t0 82.04 -52.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 109.245 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.79 134.45 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.95 154.76 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -126.2 12.39 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.47 -28.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 79.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 80' ' ' LYS . 9.1 tt -137.22 153.72 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.48 139.35 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 21.6 t-80 -54.29 -58.77 6.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -45.17 -40.9 7.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.694 ' HG2' HD11 ' A' ' 76' ' ' ILE . 5.1 tptt -62.97 -56.42 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.69 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -43.09 -49.36 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.872 HG23 HD11 ' A' ' 33' ' ' ILE . 97.1 t -63.0 -57.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -52.37 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ALA . 95.7 mt -47.84 -70.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.49 -44.57 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -61.98 -69.82 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 p -49.02 -22.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -87.31 102.46 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -38.42 39.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -121.57 125.03 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CG2' ' SD ' ' A' ' 93' ' ' MET . 60.0 mt -86.87 120.66 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.49 72.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.81 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.88 169.04 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.8 mtt180 -112.91 138.32 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.584 HG23 ' NE ' ' A' ' 17' ' ' ARG . 19.5 m -133.47 167.39 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -157.01 151.2 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 8.2 mm -102.12 136.62 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 59' ' ' LEU . 55.6 t -120.75 95.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -102.2 128.41 48.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -147.38 161.07 41.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 11.9 m-80 -108.99 128.68 55.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 82' ' ' VAL . 1.2 pp -100.31 138.18 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -137.26 175.19 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 42' ' ' GLY . 32.1 mm -122.78 139.18 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' SER . 46.8 m-85 -146.45 145.81 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.695 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.2 mm -61.34 85.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -48.68 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 164.21 33.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -131.04 133.98 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.11 123.6 85.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.705 ' HA ' ' CD2' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.11 55.08 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 160.61 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -130.5 -168.97 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.56 -27.67 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.1 -48.29 76.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.705 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -47.83 -42.97 27.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.622 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -40.53 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.65 -37.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.28 27.69 3.05 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 29.2 mt -84.04 151.35 25.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 0.698 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -142.84 137.91 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.62 103.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.07 0.79 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.22 112.42 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 130.49 43.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.799 HG13 ' SD ' ' A' ' 93' ' ' MET . 75.7 t -96.56 91.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.78 -67.3 0.3 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.6 139.52 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.767 HG21 ' CE2' ' A' ' 73' ' ' PHE . 81.3 t -107.96 112.36 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 42.5 m-20 60.7 41.2 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.6 t70 87.31 -42.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' VAL . 52.0 t -55.9 128.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.23 130.73 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' HG21 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -107.88 -8.13 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.63 -31.05 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -144.2 76.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 84' ' ' ILE . 2.5 tt -135.04 158.0 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.8 146.36 29.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 13.4 t-80 -52.48 -59.75 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -45.43 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -43.19 84.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -61.09 -45.47 94.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 33' ' ' ILE . 88.4 t -62.03 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.82 -60.36 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 18.7 mt -41.89 -68.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 81' ' ' ALA . 6.2 mt -40.86 -56.7 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ALA . 8.0 mttm -53.23 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.3 p -37.41 -32.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' LYS . . . -80.78 118.68 22.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 29.0 ptt-85 -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.1 pt-20 -111.37 125.68 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' THR . 12.2 mt -92.26 124.05 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -149.61 88.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.799 ' SD ' HG13 ' A' ' 65' ' ' VAL . 16.9 ptp -106.78 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 5.5 ttt180 -112.44 108.96 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 19' ' ' VAL . 22.5 m -111.45 158.34 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -154.91 139.82 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.578 HD13 ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -111.34 112.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.15 95.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.454 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.9 m -99.5 135.36 41.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 53' ' ' ASP . 2.1 mp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 22.0 p90 -168.34 160.73 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -117.53 146.94 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.842 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -104.78 156.55 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 7.4 ptt180 -159.46 173.02 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 35' ' ' GLY . 33.4 mm -84.16 126.07 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.58 0.812 . . . . 0.0 109.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 82.8 m-85 -125.74 152.51 45.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.596 ' CG2' HG23 ' A' ' 48' ' ' VAL . 4.9 mm -67.49 111.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -75.43 -57.97 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.65 146.39 30.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.596 HG23 ' CG2' ' A' ' 45' ' ' ILE . 24.3 t -128.55 131.56 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.79 126.06 91.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.0 Cg_endo -75.08 58.04 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 156.67 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.0 p -125.32 -171.41 2.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 110.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.1 m-20 -76.54 -30.7 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.866 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -71.44 -43.19 67.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -54.5 -44.51 72.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -46.09 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -44.71 -35.29 2.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.54 34.75 1.05 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.866 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.6 mt -94.45 137.44 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 0.839 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -143.27 138.15 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 113.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.59 -23.14 5.42 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.86 127.81 32.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.34 0.67 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 16.4 tt0 -85.46 149.53 25.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.708 HG13 ' SD ' ' A' ' 93' ' ' MET . 30.1 t -109.5 93.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 mt -55.61 -66.56 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.43 163.65 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 93' ' ' MET . 66.9 t -132.27 105.53 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 22.3 m120 56.78 49.32 14.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.46 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.6 127.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.49 136.76 39.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 1.1 m-85 -109.63 -19.91 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -41.08 -33.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.16 79.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD11 ' A' ' 84' ' ' ILE . 3.8 tt -141.15 161.47 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -80.81 142.48 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 42.8 t-80 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -40.2 48.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.687 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -66.17 -54.05 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.842 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -49.1 -46.72 45.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.427 HG23 HD11 ' A' ' 33' ' ' ILE . 58.7 t -62.46 -62.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' THR . 0.0 OUTLIER -48.59 -53.86 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.687 HD11 ' HG2' ' A' ' 80' ' ' LYS . 37.5 mt -40.38 -60.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.78 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mppp? -43.15 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.4 p -41.05 -48.38 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 104.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -48.76 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -119.71 129.06 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' THR . 20.5 mt -83.59 124.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.454 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -147.56 73.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.851 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -99.79 161.61 13.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.7 ttp180 -107.65 113.93 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.505 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 32.7 m -111.99 166.09 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -155.2 129.39 8.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 5.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.3 mm -119.37 117.45 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 57' ' ' ALA . 42.3 t -94.71 100.3 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.599 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.7 m -98.14 128.34 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' ' 48' ' ' VAL . 15.2 p90 -167.94 159.71 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 17.6 m-20 -112.17 141.08 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -103.48 152.72 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -156.55 151.03 25.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.912 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.912 HD13 ' O ' ' A' ' 35' ' ' GLY . 18.4 mm -87.0 127.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 81.0 m-85 -137.11 128.84 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 59' ' ' LEU . 25.3 mm -45.63 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.5 -62.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.498 ' HE3' HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -146.14 153.27 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.229 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 31' ' ' PHE . 76.1 t -134.53 135.16 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.498 HD11 ' HE3' ' A' ' 47' ' ' LYS . 7.8 mm -66.31 126.94 92.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 56.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 156.43 46.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.0 p -125.36 -176.73 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.45 -30.75 63.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -70.71 -38.97 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -62.49 -29.51 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.679 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -85.72 -37.74 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -55.35 -31.18 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.63 26.27 3.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 13.0 mt -82.16 137.04 35.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.62 146.88 34.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.78 109.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.54 -24.5 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.08 97.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.6 tt0 -65.52 127.0 30.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 93' ' ' MET . 19.4 t -88.09 94.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.557 HD21 ' NE ' ' A' ' 96' ' ' ARG . 81.2 mt -55.54 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.13 161.22 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.755 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.9 t -134.26 107.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 31.5 m-20 51.87 53.52 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.5 t0 82.8 -51.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.2 t -53.98 120.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -76.91 131.77 38.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.964 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 1.3 m-30 -98.23 -4.33 35.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.3 -33.89 21.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -142.81 80.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 4.0 tt -144.57 157.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.78 151.72 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.523 ' O ' HD11 ' A' ' 33' ' ' ILE . 38.4 t60 -60.82 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 93.7 p -47.66 -23.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 78' ' ' HIS . 1.4 tptt -80.85 -50.58 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.964 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -61.39 -50.82 71.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 83' ' ' GLU . 7.4 p -54.98 -54.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.56 ' N ' HG13 ' A' ' 82' ' ' VAL . 23.1 mt-10 -54.62 -56.37 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.3 mt -38.35 -57.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.487 HD22 ' CG2' ' A' ' 91' ' ' ILE . 74.4 mt -49.37 -67.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -47.32 -71.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -38.19 -56.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 132.14 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -42.61 75.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.06 127.51 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CG2' HD22 ' A' ' 85' ' ' LEU . 6.1 mt -90.73 126.07 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.599 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -145.44 77.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.755 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.9 163.08 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.2 ttt180 -107.15 125.77 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.0 m -121.27 158.58 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.557 ' NE ' HD21 ' A' ' 66' ' ' LEU . 26.6 ptt85 -158.3 151.56 23.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.8 p90 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -103.02 109.3 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.746 HG11 HD13 ' A' ' 59' ' ' LEU . 90.4 t -92.55 95.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.2 129.22 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD23 ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.05 157.25 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.426 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 29.8 m-80 -103.07 150.92 23.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.73 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -117.44 158.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 1.7 ptp180 -159.59 174.38 14.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.405 1.065 . . . . 0.0 111.017 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 43' ' ' ILE . 27.9 mm -81.65 136.27 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 70.9 m-85 -134.14 164.52 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.8 mm -80.86 87.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -52.45 -60.69 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 157.14 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 80.2 t -134.05 135.38 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.474 HG22 ' OD1' ' A' ' 51' ' ' ASP . 32.0 mm -66.83 128.9 94.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.95 55.12 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER 154.67 50.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 p -128.43 -177.03 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' CB ' HD23 ' A' ' 21' ' ' LEU . 3.8 m-20 -71.71 -32.3 67.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -54.5 24.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 1.2 t-160 -46.64 -35.26 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -39.5 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -51.07 -30.58 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.31 38.29 1.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.409 1.068 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.746 HD13 HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -95.79 144.12 26.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -146.65 133.61 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -46.01 115.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.98 54.08 0.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.83 108.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.8 tt0 -65.23 132.64 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 93' ' ' MET . 99.0 t -104.12 93.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.38 -67.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -129.71 170.03 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 93' ' ' MET . 2.5 t -141.27 107.33 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 81.22 -51.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.188 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.01 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.39 157.77 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.81 126.75 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -101.57 33.54 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -88.5 -15.89 34.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -164.06 72.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.479 HD11 ' HG2' ' A' ' 80' ' ' LYS . 6.5 tt -125.11 162.3 27.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.65 144.08 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.95 -64.51 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 -47.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -55.41 -54.6 41.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -51.9 -39.95 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 33' ' ' ILE . 4.8 t -72.51 -25.93 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.0 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -42.55 -57.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.6 mt -46.8 -62.63 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -45.43 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 p -39.16 -71.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.87 109.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 11.1 ptm180 -50.93 -39.17 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.4 pt-20 -121.11 125.9 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 mt -87.91 121.19 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -123.83 78.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.828 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -99.66 137.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.2 ttp180 -99.71 103.97 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 23.3 m -102.5 163.81 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 1.1 ttp180 -156.55 139.19 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 71.3 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.694 ' CG ' HG23 ' A' ' 95' ' ' VAL . 15.5 ptp180 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mm -120.17 125.92 74.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 59' ' ' LEU . 84.9 t -112.36 96.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -95.0 135.46 36.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 4.5 p90 -162.71 159.07 23.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 35.0 m-80 -114.77 147.91 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pp -111.91 150.41 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 3.8 ptt85 -150.35 171.04 17.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.92 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' ILE . 8.3 mm -84.73 139.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 86.4 m-85 -138.97 144.46 38.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.9 mm -63.65 89.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.57 -61.72 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -144.42 162.68 35.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.432 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 75.2 t -134.69 125.81 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.611 HG22 ' OD1' ' A' ' 51' ' ' ASP . 49.3 mm -65.94 125.88 90.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.611 ' OD1' HG22 ' A' ' 49' ' ' ILE . 5.7 p-10 166.71 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.4 p -128.14 -168.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.41 -35.88 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.927 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.83 -39.03 92.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 19.0 t-160 -55.59 -43.27 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.7 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 -33.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.49 23.38 4.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.927 HD12 ' HB1' ' A' ' 54' ' ' ALA . 11.3 mt -77.67 139.28 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -132.92 143.32 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.18 101.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.76 40.16 0.54 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.2 104.91 12.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 0.791 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.2 tt0 -65.35 129.81 41.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 93' ' ' MET . 57.8 t -95.77 100.22 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.5 mt -56.75 -64.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.79 161.61 35.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.4 t -134.32 105.26 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 29.4 m-80 57.59 52.49 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.8 t70 81.93 -53.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -54.18 125.62 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.35 145.53 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -114.52 -12.37 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.39 -26.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PHE . 35.7 t0 -147.25 71.39 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.8 tt -127.67 156.36 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -81.4 138.32 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.2 t-80 -44.67 -59.81 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.94 -49.88 38.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.385 1.053 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.737 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -47.8 -52.21 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 33' ' ' ILE . 51.8 t -55.94 -44.07 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -65.08 -61.75 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' GLU . 46.0 mt -40.54 -65.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -63.57 -74.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.6 p -38.42 -56.5 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.83 107.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -40.8 46.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -122.32 130.52 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.99 129.72 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 68.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.89 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.21 170.13 10.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -110.26 137.56 47.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.694 HG23 ' CG ' ' A' ' 17' ' ' ARG . 17.3 m -135.88 161.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -161.89 137.92 7.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.363 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -108.21 110.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.02 HG11 ' CD1' ' A' ' 59' ' ' LEU . 38.5 t -100.71 96.96 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 138.16 31.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 54' ' ' ALA . 1.8 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 7.8 p90 -158.35 159.84 36.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -108.6 151.37 26.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -118.45 143.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -146.86 176.76 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' ILE . 21.7 mm -91.1 133.81 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 22.9 m-85 -132.14 160.43 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 15.1 mm -71.94 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 159.34 43.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 67.3 t -133.96 130.82 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.5 127.14 93.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 55.38 3.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER 162.86 43.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 p -125.82 -175.41 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.82 -34.9 57.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.51 -38.02 86.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.73 -38.98 73.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.547 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -43.69 14.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.32 -36.04 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.55 38.42 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.02 ' CD1' HG11 ' A' ' 19' ' ' VAL . 4.3 mp -94.25 142.71 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -144.32 138.71 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.25 104.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.1 -40.07 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -48.13 139.32 8.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.578 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 4.8 tt0 -104.56 139.71 39.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 25.1 t -96.8 104.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.79 -63.03 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.49 157.95 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 83.7 t -136.85 109.98 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.4 33.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.93 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.2 t -112.17 136.76 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.78 115.23 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -101.91 -16.37 16.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -42.35 -27.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.9 m-20 -146.16 79.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 84' ' ' ILE . 3.2 tt -136.26 153.64 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -74.74 141.15 44.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -46.16 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.94 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -48.7 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -60.99 -43.9 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 33' ' ' ILE . 90.9 t -60.04 -49.04 85.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' THR . 1.6 mp0 -61.69 -59.17 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.211 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 76' ' ' ILE . 38.6 mt -41.29 -64.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.19 -48.91 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -60.59 -71.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.9 p -40.67 -63.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.83 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -39.19 -51.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.54 128.26 55.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.2 mt -83.66 127.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.35 73.8 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -98.11 160.34 14.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -108.91 113.99 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 64' ' ' GLN . 9.0 m -108.24 161.48 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 6.3 ttt180 -148.91 139.3 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.1 mm -109.57 107.95 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 59' ' ' LEU . 96.0 t -95.23 96.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -87.84 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' LEU . 3.1 tp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 43.6 p90 -146.72 162.63 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 0.806 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' SER . 40.3 m-80 -112.16 133.55 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 82' ' ' VAL . 1.9 pt -103.11 150.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -156.14 174.25 15.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.42 132.09 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 74.9 m-85 -135.55 150.29 49.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 11.1 mm -68.82 76.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -39.31 -61.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 160.45 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.424 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 54.3 t -127.63 135.31 63.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.76 127.68 93.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.08 55.6 4.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 5.7 m-20 155.42 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -134.28 172.84 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ALA . 9.6 m-20 -62.55 -31.07 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 59' ' ' LEU . . . -67.32 -29.78 69.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -78.22 -36.27 47.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.587 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.13 -15.84 39.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -82.4 -5.37 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 -5.45 76.05 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 HG11 ' A' ' 19' ' ' VAL . 5.3 tp -51.52 141.52 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -149.26 173.22 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.5 117.07 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.71 -29.16 5.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.9 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.6 tt0 -70.67 132.0 44.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t -88.17 98.4 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.67 -64.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.18 158.45 43.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.761 HG12 ' ND2' ' A' ' 69' ' ' ASN . 98.6 t -136.43 134.08 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.761 ' ND2' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER 40.83 39.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 3.3 m-20 85.95 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' VAL . 22.0 t -56.49 122.21 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.86 140.14 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 2.2 m-30 -109.81 3.52 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.55 -20.41 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -165.95 80.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 84' ' ' ILE . 13.0 tt -134.47 159.45 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.48 146.29 48.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.537 ' O ' HD11 ' A' ' 33' ' ' ILE . 27.2 t-80 -57.99 -50.29 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -49.83 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.621 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -55.77 -49.75 72.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -54.26 -38.46 65.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 33' ' ' ILE . 33.6 t -73.24 -41.82 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' THR . 1.5 mp0 -66.1 -61.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 76' ' ' ILE . 14.3 mt -40.32 -57.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 63.0 mt -47.18 -55.43 8.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' THR . 1.5 mttp -59.75 -69.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.7 p -38.35 -55.24 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' ARG . . . -55.92 99.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' ALA . 18.8 ptt180 -37.89 -47.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.65 126.17 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.17 124.04 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.65 76.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.756 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.06 162.96 12.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 mtp180 -113.43 115.64 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 7.0 m -110.53 162.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.85 130.16 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.415 HD11 ' NE ' ' A' ' 94' ' ' ARG . 3.4 mm -112.89 112.68 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.904 HG13 ' HB1' ' A' ' 57' ' ' ALA . 89.3 t -103.56 95.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.78 135.96 37.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HZ ' HD22 ' A' ' 85' ' ' LEU . 3.7 p90 -152.11 175.88 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -119.54 156.24 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.046 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -128.6 137.6 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 35.4 ptt180 -138.16 178.29 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -106.86 142.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 88.9 m-85 -144.37 154.04 42.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -71.23 78.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -46.14 -56.34 5.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.46 160.84 41.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 73.5 t -134.12 136.08 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.07 124.24 87.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.05 55.4 3.96 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER 160.03 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.087 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -127.59 -171.4 2.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -77.44 -35.83 53.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -64.47 -43.31 94.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 4.2 t-160 -55.57 -33.3 63.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.0 -42.0 12.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.904 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -46.74 -29.47 1.93 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.08 31.62 2.62 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.815 HD13 HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -86.64 142.8 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 0.804 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -146.41 140.37 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -49.38 105.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.18 -31.82 1.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.595 1.185 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.38 134.73 56.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.786 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 4.8 tt0 -107.27 137.73 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.629 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -87.98 111.44 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.74 -62.15 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -149.94 150.97 32.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.738 HG13 ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -134.26 131.64 55.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 61.7 m-80 48.22 30.18 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 78.9 34.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 84' ' ' ILE . 93.1 t -108.89 153.92 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -105.22 101.96 11.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.738 ' CE1' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -86.29 -26.16 25.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PHE . 34.0 mt-30 -38.47 -37.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.94 73.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 84' ' ' ILE . 2.2 tt -130.84 162.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' LYS . 12.9 mp0 -86.96 130.45 34.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 43.2 t-80 -39.41 -50.56 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -45.89 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -64.68 -45.64 85.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -54.3 -47.58 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 1.046 HG23 HD11 ' A' ' 33' ' ' ILE . 60.4 t -64.89 -29.5 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.53 -61.39 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.218 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 HG11 ' A' ' 71' ' ' VAL . 6.3 mt -40.17 -47.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mt -62.0 -68.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' THR . 16.6 mttt -42.04 -69.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 42.7 p -37.48 -71.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' LEU . . . -56.01 119.46 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 33.7 ptt-85 -56.36 -49.18 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 9.2 pt-20 -107.43 122.62 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.67 ' CG2' HD23 ' A' ' 85' ' ' LEU . 4.4 mt -91.38 106.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.32 71.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.629 ' HB2' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.1 157.47 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' NE ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -107.26 106.74 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 4.3 m -98.35 158.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -153.57 135.43 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.961 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.97 130.94 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.916 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.34 149.41 51.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.85 -172.49 14.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -118.1 131.12 56.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 0.728 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -111.8 154.97 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.95 -121.41 2.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -161.99 129.78 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -153.63 143.87 22.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.53 84.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -139.92 74.78 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -71.29 119.49 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -147.41 -63.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.16 26.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -97.65 147.21 32.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' N ' HD12 ' A' ' 15' ' ' LEU . 18.7 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.704 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -92.28 167.49 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.457 HD12 ' HD2' ' A' ' 94' ' ' ARG . 2.5 mm -116.32 112.55 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.82 HG11 HD13 ' A' ' 59' ' ' LEU . 75.3 t -97.02 95.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -96.81 135.5 38.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.42 148.65 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 23' ' ' LYS . 7.5 ttmt -97.17 -34.79 10.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HE2' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER 57.3 112.11 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -74.96 168.95 23.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 102.3 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.45 26.3 5.17 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 0.0 111.062 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.537 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -102.55 -179.09 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 0.712 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 30.8 mt-30 -150.95 73.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER 59.8 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 114.01 17.26 7.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 28.3 p90 -169.1 161.7 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 0.745 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.0 m-20 -111.68 169.77 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.376 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -132.28 139.37 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -123.81 172.43 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.6 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 78.33 116.34 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.51 118.58 1.99 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 -57.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -50.11 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 177.25 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.44 -158.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.7 162.7 28.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 35' ' ' GLY . 24.7 mm -98.86 110.64 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 37.2 m-85 -120.8 164.4 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.5 mm -71.97 90.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 1.1 p -56.0 -59.92 4.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 46' ' ' SER . 28.4 ttpt -145.47 151.27 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.1 t -127.69 132.03 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mm -66.04 128.0 93.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 56.17 4.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.6 m-20 157.64 49.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.7 p -131.23 -175.71 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -69.41 -39.99 77.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.51 -53.22 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -47.84 -33.65 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.8 -41.77 14.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.52 6.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.78 32.62 4.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.059 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.82 HD13 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -81.14 144.31 31.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -145.72 133.38 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -46.46 99.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.5 -34.12 1.52 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.5 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -65.37 142.48 58.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 12.2 t -100.24 97.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.57 -64.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.37 156.69 47.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.0 t -129.52 113.14 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 11.9 m-80 57.93 48.05 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 12.2 t0 83.47 -50.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.64 131.28 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.03 144.19 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -116.1 29.37 8.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.42 -31.82 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -140.31 74.53 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tt -139.97 156.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.37 155.12 41.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 22.1 t-80 -63.41 -49.64 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -42.5 73.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -61.51 -46.42 90.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.704 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.33 -38.08 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 33' ' ' ILE . 54.2 t -74.32 -44.13 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 87' ' ' THR . 2.2 mt-10 -62.69 -59.93 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.92 -67.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.0 mt -41.0 -57.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' THR . 23.1 mttt -53.43 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' GLU . 67.4 p -37.79 -61.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.68 113.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.78 -47.1 74.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.95 128.39 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.2 mt -86.93 131.27 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 72.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.912 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.02 164.01 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -102.89 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' CG ' ' A' ' 17' ' ' ARG . 10.0 m -117.34 162.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -159.39 154.79 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.224 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 12.9 p90 -57.73 121.93 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.494 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 71.5 t80 -118.78 47.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 t -161.16 128.08 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.97 175.45 54.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.69 5.28 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t 52.97 95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.8 p -56.01 168.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -165.74 108.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.07 146.13 7.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.28 110.63 3.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -163.35 131.91 3.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -140.98 167.89 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 82.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.99 123.58 35.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -163.91 144.67 8.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -97.04 77.76 2.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.78 68.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -85.6 128.34 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -157.5 -45.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.57 34.81 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -109.54 145.97 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.619 ' O ' HD12 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.03 134.73 18.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.74 158.5 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.4 mm -116.37 115.72 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.4 95.96 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.852 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -95.19 133.02 39.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -131.14 152.29 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -123.09 104.71 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' NZ ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.63 114.64 49.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.9 168.51 24.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 99.33 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.487 1.783 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 28.98 3.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.37 -169.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.237 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mt-30 -144.27 162.96 35.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -39.47 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.16 6.47 13.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -163.1 156.79 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.404 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 33.4 m-20 -107.72 143.81 35.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -107.92 147.39 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -139.99 177.95 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.76 -169.66 30.07 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.55 86.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -92.04 -57.78 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -155.46 -65.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 28.6 t -38.4 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -148.15 -70.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 41.7 -161.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.46 173.41 23.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 mm -101.65 139.53 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -145.24 161.08 40.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 59' ' ' LEU . 5.1 mm -71.87 102.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -64.9 -58.68 5.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.907 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 154.38 41.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 76.2 t -132.34 138.35 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.5 mm -66.35 124.87 89.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.95 56.65 4.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 155.66 45.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.1 p -127.35 -172.89 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.568 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 m-20 -77.67 -34.36 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.871 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.4 -47.94 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -53.03 -41.41 64.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.594 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.69 -43.94 29.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.679 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -45.45 -29.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 25.59 4.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.2 mt -82.69 143.6 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -142.76 146.72 34.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.17 103.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.11 35.87 0.91 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.145 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.36 118.73 37.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 1.9 tt0 -70.91 127.44 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.694 HG13 ' SD ' ' A' ' 93' ' ' MET . 60.1 t -97.04 98.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.44 -65.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 154.37 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 93' ' ' MET . 32.7 t -126.24 119.8 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m120 59.63 28.22 17.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER 77.87 23.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.65 122.87 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.55 111.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.74 -24.65 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.5 -28.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' PHE . 77.4 m-20 -138.33 73.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 tt -136.36 162.25 35.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -89.66 140.79 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.89 -59.52 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.546 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 -47.89 23.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -46.32 90.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.696 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -55.41 -53.01 61.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.842 HG23 HD11 ' A' ' 33' ' ' ILE . 43.1 t -54.85 -49.3 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.1 mt-10 -58.81 -62.52 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 79.0 mt -39.95 -61.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.61 -61.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -47.82 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 87' ' ' THR . 67.4 p -38.55 -63.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.85 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -52.77 -38.78 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 6.4 pt-20 -123.31 126.96 47.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' HZ2' ' A' ' 23' ' ' LYS . 22.7 mt -86.41 124.47 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.852 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -146.21 70.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.786 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -98.07 167.07 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 ttt180 -111.75 119.11 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.9 m -115.88 166.6 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.204 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 130.44 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 40.8 p90 -48.63 115.46 1.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -109.04 60.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.7 t 179.92 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.81 -145.6 16.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.95 19.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 p -157.86 128.41 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 168.46 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.414 1.071 . . . . 0.0 110.931 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.33 113.66 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.733 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -77.49 167.8 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.35 -104.99 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 58.38 105.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -74.08 134.11 42.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.81 133.57 11.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -133.59 149.0 51.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 0.747 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -128.96 156.15 44.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.27 75.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -146.26 75.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -149.46 104.7 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -155.06 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -156.07 50.32 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 158.08 0.5 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.56 1.821 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.63 152.08 43.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.1 mm -108.98 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 59' ' ' LEU . 14.5 t -92.25 96.99 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ILE . 6.2 m -96.57 139.8 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.3 mp -108.8 155.99 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' LYS . 33.7 mmtt -95.59 -38.58 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.36 110.53 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -75.0 169.68 22.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.422 1.748 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 106.32 2.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.066 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.0 6.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -97.81 -171.81 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' GLY . 7.7 mt-30 -154.78 69.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER 61.02 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 114.98 12.27 10.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 17.4 p90 -163.07 160.77 24.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.543 0.79 . . . . 0.0 110.971 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -103.87 156.89 17.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.358 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.908 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -124.36 131.69 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -124.57 174.75 7.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . 84.45 144.57 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.63 140.74 8.11 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -166.24 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.91 -60.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -47.49 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 -62.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.97 -156.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.49 160.47 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 35.3 mm -91.11 133.89 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.6 155.94 49.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.1 mm -69.25 90.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -58.88 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.35 158.58 43.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 95.4 t -133.91 131.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.06 126.37 92.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.511 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.01 54.76 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 163.71 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.8 p -126.0 -171.49 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.96 -39.85 49.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.18 -43.6 98.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.511 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 6.7 t-160 -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -89.4 -34.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -18.74 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 29.81 6.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -82.44 143.39 31.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.353 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -145.8 137.3 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.17 100.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.58 44.92 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.91 107.8 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.67 126.52 29.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -91.38 100.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -62.91 -64.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -133.01 167.95 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 3.7 t -141.28 126.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.0 m120 44.52 48.06 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.9 t0 82.51 -51.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.28 134.67 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.08 145.24 40.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -117.3 -8.7 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -49.58 -23.87 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -149.65 68.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.548 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.8 tt -128.15 156.5 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.6 143.82 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 17.1 t-80 -51.74 -57.36 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -40.87 71.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -43.85 98.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -64.47 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.908 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -66.82 -45.46 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 87' ' ' THR . 0.5 OUTLIER -63.38 -62.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.8 mt -40.99 -67.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.1 mt -40.99 -66.6 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -44.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -37.89 -59.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.78 108.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 9.9 ptp180 -52.33 -39.08 60.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 10.1 pt-20 -121.73 125.97 47.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 20' ' ' THR . 7.3 mt -83.46 140.48 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 8.8 t -148.15 77.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -108.33 148.24 30.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.6 ttt180 -103.6 108.99 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.24 163.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' PHE . 6.6 ttp180 -158.5 136.72 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -45.92 94.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 71.6 t80 -86.42 61.15 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.3 t -173.98 110.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.59 -144.51 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 87.32 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 104.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.1 t -72.33 103.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 p -175.81 139.92 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.038 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -172.75 160.59 4.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.44 152.09 19.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -158.51 107.79 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.2 165.19 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.04 143.26 3.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 62.1 110.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -129.2 -63.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.49 55.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.36 50.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.1 m -59.16 150.76 24.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.567 1.167 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -178.02 -36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -157.96 33.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -92.18 157.49 40.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.92 6.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.828 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -140.77 154.53 46.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.18 135.58 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 59' ' ' LEU . 15.0 t -121.44 96.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -94.25 127.69 40.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.454 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -110.45 168.44 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -110.63 -50.65 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.621 ' HE3' HD11 ' A' ' 91' ' ' ILE . 3.9 ttpp 60.97 118.31 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.0 26.19 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -90.69 164.37 14.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 109.226 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.7 pt20 -116.23 56.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.89 HD12 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 63.55 -78.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.607 1.192 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 122.7 4.16 8.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.89 ' CE2' HD12 ' A' ' 29' ' ' LEU . 41.2 p90 -164.06 167.21 20.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -119.08 146.35 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.885 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.4 pt -104.87 155.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 6.5 ptt180 -154.67 159.9 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.799 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 72.47 155.74 2.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.396 1.06 . . . . 0.0 111.071 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.15 56.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.02 166.87 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.17 69.68 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.79 45.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.588 1.18 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 60.47 58.19 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.91 -158.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.55 -159.76 31.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.9 mm -87.86 137.53 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 32.5 m-85 -141.4 150.08 41.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.571 ' CG2' HG23 ' A' ' 48' ' ' VAL . 9.2 mm -62.89 94.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -60.81 -58.62 7.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -145.7 151.77 38.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.571 HG23 ' CG2' ' A' ' 45' ' ' ILE . 59.2 t -130.94 134.15 62.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.97 124.14 86.91 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.394 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.97 58.75 4.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.8 m-20 156.07 45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -127.4 -171.57 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HB2' HD23 ' A' ' 21' ' ' LEU . 4.8 m-20 -76.77 -32.4 57.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.652 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -67.7 -46.83 71.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 t-160 -53.25 -26.11 16.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -98.73 -32.09 11.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -57.7 -20.86 37.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 34.15 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -91.34 144.2 25.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.43 139.89 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.77 104.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.15 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.86 111.95 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -67.13 125.09 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.691 HG13 ' SD ' ' A' ' 93' ' ' MET . 24.2 t -94.66 95.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.65 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.69 165.8 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 93' ' ' MET . 50.6 t -137.64 108.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 12.6 m120 58.69 47.0 13.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.2 t0 83.93 -50.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -54.08 122.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.53 130.4 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.664 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -97.25 -9.91 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -47.17 -26.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -150.41 82.8 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 84' ' ' ILE . 2.9 tt -143.31 161.71 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.51 147.27 30.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.556 ' O ' HD11 ' A' ' 33' ' ' ILE . 21.1 t-80 -55.33 -61.98 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -39.31 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -50.45 67.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.885 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.96 -42.22 75.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.067 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.455 HG23 HD11 ' A' ' 33' ' ' ILE . 13.9 t -65.91 -47.94 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -61.53 -56.58 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 76' ' ' ILE . 94.0 mt -41.12 -57.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 25.4 mt -48.99 -63.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.637 ' HG3' HD22 ' A' ' 29' ' ' LEU . 21.1 mttt -51.53 -69.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.1 p -38.7 -42.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.99 106.71 3.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 5.5 ptp180 -45.34 -50.56 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 4.4 pt-20 -118.05 129.69 55.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.621 HD11 ' HE3' ' A' ' 23' ' ' LYS . 5.2 mt -83.31 149.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 63.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.7 ptp -94.56 160.54 14.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -109.94 112.31 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 33.3 m -109.39 173.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -162.64 153.34 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -70.01 86.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CE1' ' NE2' ' A' ' 64' ' ' GLN . 9.9 t80 -90.58 64.87 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -176.76 85.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.43 157.0 22.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.05 7.48 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.559 1.82 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.94 132.54 42.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.35 164.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 110.962 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.31 86.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -177.15 170.16 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.35 114.49 0.63 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.08 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -171.62 153.48 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.076 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.26 -162.35 0.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.414 1.071 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.49 -63.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.15 -54.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 62.38 93.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -112.77 49.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -85.74 156.78 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.573 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 9.5 tp60 -164.52 -45.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -138.88 15.07 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.45 155.82 90.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.12 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.432 1.754 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.594 HH11 HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.83 155.36 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mm -108.52 109.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG13 ' HB1' ' A' ' 57' ' ' ALA . 51.6 t -92.69 97.47 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.8 m -94.66 133.56 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 57' ' ' ALA . 5.9 mp -123.51 169.23 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -110.76 2.29 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.782 ' HG2' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -34.99 122.42 0.58 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.617 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.92 173.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.9 -19.15 18.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.536 1.808 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.41 34.14 6.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -110.53 154.63 23.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -98.25 14.84 26.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER 65.24 136.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' C ' HG12 ' A' ' 49' ' ' ILE . . . -87.56 19.91 30.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 25.9 p90 -166.93 163.28 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -117.44 157.28 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.903 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.2 pt -113.3 152.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -149.08 159.1 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 168.7 42.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.51 142.24 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.68 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 9.6 mttt -165.66 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 37' ' ' LYS . . . 164.32 -45.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 40' ' ' GLN . 33.2 t -39.24 -71.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' SER . 88.6 mt-30 -157.22 -43.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.84 159.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.76 -151.69 6.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 73' ' ' PHE . 33.0 mm -100.61 146.47 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 88.2 m-85 -149.97 140.39 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.3 mm -56.81 104.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -62.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -141.13 146.31 36.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 65.4 t -130.69 129.52 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 ' C ' ' A' ' 30' ' ' GLY . 5.7 mm -65.88 130.33 94.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.49 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.94 53.51 3.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 163.57 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -179.26 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.21 -36.54 71.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.96 -44.91 79.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 8.6 t-160 -54.69 -30.24 55.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -91.91 -29.69 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.66 -31.74 72.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.09 34.41 1.14 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 54' ' ' ALA . 1.6 mp -91.02 140.71 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -148.59 138.85 22.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.49 103.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.0 -18.9 3.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.16 116.03 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 11.5 tt0 -77.27 147.2 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 ' SD ' ' A' ' 93' ' ' MET . 21.7 t -107.53 98.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.88 -65.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.99 159.36 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.901 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.8 t -135.68 107.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 17.3 m120 58.95 51.9 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.0 t0 81.84 -52.98 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.08 126.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.69 152.67 43.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.625 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -124.89 23.52 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -28.92 31.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 1.5 p-10 -149.74 85.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 ' HG2' ' A' ' 80' ' ' LYS . 11.5 tt -149.65 157.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.96 145.63 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.596 ' O ' HD11 ' A' ' 33' ' ' ILE . 3.7 t-80 -61.15 -50.76 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.202 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -33.36 66.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.744 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -68.49 -52.58 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.903 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -48.98 -45.74 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 33' ' ' ILE . 49.6 t -61.7 -63.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.71 -50.9 31.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.5 mt -43.51 -54.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -55.88 -53.64 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -52.31 -61.53 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -57.33 -21.92 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.9 93.68 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.36 -39.7 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.02 125.63 44.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.89 141.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.63 61.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.901 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.8 ptp -91.85 161.31 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 2.1 ttp180 -112.9 110.25 20.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG23 HH11 ' A' ' 17' ' ' ARG . 34.7 m -105.25 165.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -163.81 127.36 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.25 120.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -129.68 52.35 2.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m 47.35 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -110.86 154.29 16.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -176.84 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.71 -59.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.5 4.53 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.52 142.57 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -73.49 86.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 110.65 1.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -147.47 136.84 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 0.717 . . . . 0.0 109.933 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -65.2 110.16 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.951 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.76 -64.8 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.549 1.156 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.7 128.96 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.22 -55.49 0.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -160.8 116.81 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -145.86 76.66 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -68.14 112.32 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 16.6 pt20 -162.03 -43.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 13' ' ' GLN . 13.4 m-85 -158.43 47.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.9 mt -108.69 143.17 26.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.98 156.85 43.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.3 ptp180 -80.72 166.41 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 94' ' ' ARG . 1.2 mm -110.14 144.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 59' ' ' LEU . 26.5 t -135.7 95.88 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.543 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.0 OUTLIER -86.29 128.73 34.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.812 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -112.52 169.02 9.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -124.95 112.24 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.973 ' HE2' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.74 111.73 41.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.96 173.52 14.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 127.98 11.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.23 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -109.01 -172.51 2.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.01 147.53 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.973 HD12 ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -48.14 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.88 -0.08 7.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' CE2' HD23 ' A' ' 29' ' ' LEU . 22.6 p90 -150.16 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -114.03 136.91 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.749 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -105.96 152.06 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -148.7 174.38 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.747 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 62.18 145.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.83 69.29 0.1 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.33 -172.17 4.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -65.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LEU . 3.6 p -43.69 122.85 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -45.02 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -146.14 -158.08 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . -168.89 -172.41 35.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.3 mm -93.13 122.08 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 49.1 m-85 -133.19 146.4 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.3 mm -60.48 85.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -50.5 -59.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.92 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 74.7 t -132.94 133.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.7 128.05 93.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.06 56.49 4.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.6 m-20 154.97 50.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -133.75 -176.36 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.512 ' HB2' HD23 ' A' ' 21' ' ' LEU . 1.3 m-20 -68.47 -37.57 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -61.89 -52.09 65.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -48.52 -27.96 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -95.78 -31.1 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -59.44 -22.51 61.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.12 18.39 17.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 142.28 55.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.241 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -141.94 130.49 22.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -47.25 105.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.54 2.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.606 1.191 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -52.14 102.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.3 tt0 -66.31 126.41 28.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 40.1 t -84.44 88.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 95' ' ' VAL . 4.1 mm? -49.32 -67.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.65 158.97 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.714 HG22 ' HB3' ' A' ' 93' ' ' MET . 86.9 t -125.71 122.88 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m-80 54.72 29.42 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 78.22 27.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 68' ' ' VAL . 21.6 t -113.63 121.48 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 2.5 p30 -57.46 114.48 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -103.48 -15.53 15.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -41.88 -28.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.1 t0 -150.76 93.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 80' ' ' LYS . 11.0 tt -150.83 158.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.44 133.96 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 38.5 t-80 -43.75 -56.69 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.36 -53.91 15.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.16 -54.93 17.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -47.17 -51.16 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.404 HG23 HD11 ' A' ' 33' ' ' ILE . 49.0 t -62.88 -57.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -47.97 -58.45 4.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' ALA . 10.8 mt -41.0 -67.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.98 -54.75 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -52.58 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.387 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -52.05 -20.49 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -88.02 107.55 18.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 2.8 ptp180 -50.37 -51.11 48.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.28 126.78 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' THR . 57.7 mt -89.93 123.61 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -145.58 68.11 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.714 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.34 163.92 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.495 ' HG3' HD13 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -108.24 133.82 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.508 ' HA ' HD23 ' A' ' 66' ' ' LEU . 29.7 m -128.13 172.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.97 144.95 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.31 93.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -88.26 65.26 7.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.31 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.028 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.45 -147.57 18.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.4 1.062 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 172.7 15.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.456 1.766 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -134.61 -55.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -138.83 114.64 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.64 119.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.702 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -111.93 153.6 26.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.976 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.93 119.67 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 132.93 38.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.98 118.37 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.99 -108.31 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.47 136.75 58.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -148.89 -58.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -160.15 88.45 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.1 pt? -147.75 79.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.5 p -122.92 174.59 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -172.86 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -151.86 29.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.32 156.76 45.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -130.96 159.14 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.211 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.614 HD13 ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -111.93 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 59' ' ' LEU . 99.5 t -92.67 96.19 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' ILE . 1.9 m -98.35 134.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 54' ' ' ALA . 3.2 mp -113.09 150.06 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.5 mmtt -95.16 3.29 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.696 ' CE ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -38.21 116.61 0.9 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -74.98 160.93 39.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 56.22 4.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.12 40.39 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -136.99 -163.24 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -111.66 129.18 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD12 ' CE ' ' A' ' 23' ' ' LYS . 1.5 tp -43.72 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.27 10.2 8.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.579 1.175 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 36.3 p90 -163.28 153.2 15.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' LYS . 31.3 m-20 -106.22 164.1 12.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -128.13 138.77 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 27.0 ptt85 -127.85 162.03 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 57.82 155.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.2 -43.54 1.25 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -40.26 -70.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.18 -143.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.9 t 47.62 42.93 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.518 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 19.6 mt-30 48.93 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -174.28 150.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.99 -131.87 5.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 29.0 mm -128.21 110.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 94.2 m-85 -118.47 150.39 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.8 mm -68.14 91.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -56.91 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -146.87 135.93 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 142.93 38.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 49' ' ' ILE . 5.6 mm -66.15 120.86 73.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.07 51.83 2.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 22.8 t0 173.2 39.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -132.69 171.75 13.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.87 -40.72 61.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -60.48 -71.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 50' ' ' PRO . 9.1 t-80 -42.61 -48.35 5.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.584 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -38.34 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -57.62 -21.04 37.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.14 27.44 3.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' A' ' 54' ' ' ALA . 3.1 mp -79.28 141.37 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -150.93 134.03 16.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.71 100.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.63 41.1 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -116.81 103.86 10.75 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.567 0.804 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.1 tt0 -65.41 139.56 58.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 68' ' ' VAL . 94.5 t -103.34 88.65 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.77 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 156.81 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.3 t -125.89 108.02 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 45.8 m-80 60.3 45.72 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.7 t0 85.2 -47.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.91 128.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -73.94 138.68 44.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -112.9 -7.41 13.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.75 -25.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -148.67 78.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 80' ' ' LYS . 3.5 tt -133.88 160.08 42.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.01 145.13 30.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.0 t-80 -52.05 -64.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.33 -40.53 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.73 -51.85 67.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.827 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.06 -49.98 70.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.462 HG23 HD11 ' A' ' 33' ' ' ILE . 75.7 t -58.7 -49.45 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ILE . 3.5 mt-10 -60.06 -60.31 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 58.7 mt -40.4 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 29' ' ' LEU . 12.3 mt -43.08 -49.45 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -62.16 -72.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -39.61 -57.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.43 108.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.63 -34.57 71.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -125.72 129.97 50.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 20' ' ' THR . 17.6 mt -95.47 139.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.85 68.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -94.5 168.0 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.614 ' HG3' HD13 ' A' ' 18' ' ' ILE . 4.7 mtt180 -112.16 108.0 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 35.2 m -106.05 169.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.4 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 15.0 ttt180 -164.12 137.83 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 19.3 p90 -43.9 120.89 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -141.76 55.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 92.0 p -176.65 138.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.47 163.03 14.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.13 11.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.1 m -112.91 139.41 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.87 142.59 17.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.94 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.558 1.161 . . . . 0.0 110.976 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -130.62 -92.01 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 109.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t 74.12 -177.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.85 98.08 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.68 154.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -151.84 137.26 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.73 57.75 17.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -160.95 -45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -101.56 158.95 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.23 30.24 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -97.82 35.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -68.41 137.66 54.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.55 -59.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.91 26.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.5 mt -56.83 156.17 13.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -167.58 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 152.89 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -108.2 112.01 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 59' ' ' LEU . 59.2 t -94.68 103.45 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.863 HG23 ' OG ' ' A' ' 92' ' ' SER . 0.8 OUTLIER -94.73 127.05 40.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -111.71 173.54 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.9 tttm -108.37 -74.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' NZ ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER 59.63 119.86 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 173.55 14.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 132.02 14.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.91 33.03 86.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -113.02 175.62 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LEU . 28.9 pt20 -87.25 132.34 33.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.825 HD21 HD13 ' A' ' 85' ' ' LEU . 2.0 tp -39.25 -64.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.04 -4.27 8.39 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' HD23 ' A' ' 29' ' ' LEU . 4.9 p90 -151.58 158.89 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.594 0.82 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.418 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 68.4 m-20 -108.89 142.26 39.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -109.25 156.99 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -156.24 176.43 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.34 -129.79 9.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 37' ' ' LYS . . . 75.65 84.26 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 3.1 mtmt -177.85 -169.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.37 -143.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 t 47.23 36.61 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 64.93 77.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -146.95 -152.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' H ' HD12 ' A' ' 41' ' ' LEU . . . 143.8 -157.38 27.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 73' ' ' PHE . 21.2 mm -89.86 123.91 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 27.2 m-85 -126.9 147.86 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.2 80.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -45.7 -62.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 160.65 41.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.24 137.46 56.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.55 HG22 ' OD1' ' A' ' 51' ' ' ASP . 29.1 mm -67.81 125.85 91.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.575 1.829 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD1' HG22 ' A' ' 49' ' ' ILE . 1.0 OUTLIER 154.26 48.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p -138.31 171.9 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ALA . 23.7 m-20 -63.66 -28.03 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.85 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -68.64 -23.95 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.384 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.508 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -86.24 -24.04 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.634 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.07 -23.55 16.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 56' ' ' ARG . . . -62.83 -46.41 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.25 44.65 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -102.29 141.69 34.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -137.35 134.63 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -49.09 103.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.51 -20.11 3.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -65.85 130.1 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 3.6 tt0 -96.81 133.29 41.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -89.18 105.24 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.59 -63.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.41 156.7 47.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.872 HG22 ' HB3' ' A' ' 93' ' ' MET . 39.4 t -132.97 105.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 8.1 m120 58.89 49.57 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.2 t70 83.06 -50.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.93 134.98 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.97 151.79 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -130.86 27.92 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.02 -22.99 36.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -157.2 91.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 84' ' ' ILE . 16.3 tt -148.49 159.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -74.43 132.84 42.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.497 ' O ' HD11 ' A' ' 33' ' ' ILE . 23.6 t-80 -41.82 -60.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.83 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.11 -54.94 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -46.81 -50.32 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.578 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -61.45 -48.27 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -57.04 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 76' ' ' ILE . 91.8 mt -43.17 -65.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.825 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 mt -42.59 -46.0 4.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.81 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -48.06 -23.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.52 102.31 13.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -43.89 -50.86 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.77 126.83 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' A' ' 23' ' ' LYS . 12.8 mt -84.63 125.07 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.863 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -147.99 77.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.872 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -100.11 170.36 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -117.32 121.06 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.534 HG22 HG23 ' A' ' 19' ' ' VAL . 18.7 m -114.49 166.8 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -164.3 128.28 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.3 115.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -113.7 61.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -168.29 126.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.17 -179.95 49.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.443 1.089 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -29.05 8.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.26 163.62 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.4 p -170.93 134.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.428 1.08 . . . . 0.0 111.042 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -179.94 133.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.042 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -176.24 152.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.52 179.74 42.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.7 162.57 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -160.7 110.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.34 117.49 2.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 63.63 133.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.2 154.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.8 -145.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt 47.75 65.66 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -101.4 148.86 24.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 7.6 pm0 -178.99 -33.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 6.1 m-85 -160.62 37.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -110.16 143.96 29.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' O ' HD12 ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.85 137.29 21.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.798 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HG23 ' A' ' 95' ' ' VAL . 5.5 ptp180 -102.97 166.13 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.0 mm -116.59 135.22 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 59' ' ' LEU . 74.9 t -116.68 95.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.1 129.38 44.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 20' ' ' THR . 6.0 mp -126.08 174.13 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' LYS . 14.7 tttt -101.22 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' NZ ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 60.4 121.78 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.371 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -74.94 165.58 31.05 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.91 20.27 7.29 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -84.73 160.04 20.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -97.43 23.65 7.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.266 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER 65.93 139.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 11.77 53.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HE1' HD13 ' A' ' 85' ' ' LEU . 5.0 p90 -160.38 162.97 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' SER . 27.1 m-20 -112.57 144.37 42.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -112.2 145.94 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 10.9 ptt180 -151.43 173.85 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 57.46 157.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.11 101.76 1.26 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -164.26 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -171.74 33.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -126.98 52.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 38.14 40.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.92 -178.4 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.2 -156.95 7.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 35' ' ' GLY . 47.9 mm -98.47 140.14 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 30.1 m-85 -143.58 150.61 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.7 mm -66.2 81.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -44.94 -56.9 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.955 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 161.49 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 53.2 t -133.55 136.4 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 mm -66.09 124.17 87.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.0 56.25 4.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER 158.88 44.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -127.81 -173.53 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 25.7 m-20 -76.12 -34.59 59.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -65.37 -38.84 91.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -61.03 -28.61 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -93.66 -38.78 11.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.29 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.4 23.08 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.7 mt -78.19 138.8 38.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 0.75 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.98 149.25 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.78 112.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.52 -2.12 8.15 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD2' HD23 ' A' ' 59' ' ' LEU . 2.5 m-20 -77.03 105.01 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.8 tt0 -70.68 132.46 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.74 HG22 ' SD ' ' A' ' 93' ' ' MET . 77.5 t -95.27 102.49 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.63 -64.22 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 163.02 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 93' ' ' MET . 63.7 t -137.53 105.51 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 20.9 m-80 56.8 53.13 8.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.0 t0 82.17 -52.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -53.78 125.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.4 136.26 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CE2' HG21 ' A' ' 68' ' ' VAL . 1.3 m-85 -102.97 -7.43 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -47.81 -26.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.43 71.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 84' ' ' ILE . 4.2 tt -131.58 156.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.48 146.29 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 33' ' ' ILE . 43.8 t-80 -54.28 -55.55 27.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -34.09 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.186 . . . . 0.0 110.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.21 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -57.12 -49.0 77.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' ILE . 39.6 t -56.56 -59.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -51.39 -60.4 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 76' ' ' ILE . 69.9 mt -39.75 -68.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD13 ' HE1' ' A' ' 31' ' ' PHE . 22.2 mt -40.49 -59.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' THR . 3.4 mtpm? -51.41 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.343 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' LYS . 10.3 p -38.07 -34.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -73.35 99.96 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 6.0 ptp180 -45.11 -45.15 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 5.6 pt-20 -121.31 128.37 52.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 20' ' ' THR . 34.0 mt -86.81 138.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -154.66 65.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.855 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -94.29 156.07 16.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.1 ttt180 -101.06 118.09 36.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 17' ' ' ARG . 29.5 m -117.68 158.9 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -152.08 139.69 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.17 115.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -117.41 38.87 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m 69.11 124.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.933 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.14 160.05 14.33 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.2 p -83.14 152.5 25.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -84.69 90.51 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.71 133.09 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 p -165.16 162.21 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.64 -144.69 6.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -100.96 -59.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 m 57.44 164.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.48 76.45 0.43 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 142.35 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.63 171.17 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.13 64.64 7.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 pp -172.16 92.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 12' ' ' THR . 15.2 t -157.39 111.08 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -152.78 -69.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 15' ' ' LEU . 68.5 m-85 -130.51 -1.36 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER 54.2 167.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.1 Cg_endo -74.98 131.57 14.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -90.87 147.75 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' C ' ' A' ' 17' ' ' ARG . 1.2 mp -100.63 124.04 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.573 HG23 ' CG2' ' A' ' 95' ' ' VAL . 73.2 t -98.81 95.11 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.8 m -97.82 134.18 41.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -121.43 152.09 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -103.73 -47.52 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 59.34 116.85 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 168.21 25.32 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.831 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 100.18 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.65 28.91 4.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 111.05 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.66 -168.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -138.21 156.01 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -39.82 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.98 11.59 9.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CE2' HD23 ' A' ' 29' ' ' LEU . 19.2 p90 -162.9 157.95 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -114.95 155.31 27.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.739 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.1 pp -114.22 155.17 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 8.1 ptt180 -158.05 175.85 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 56.44 160.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 42' ' ' GLY . . . 104.44 65.82 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.98 -65.49 1.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.82 -148.39 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.3 t 39.21 38.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 51.67 74.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -143.01 148.75 37.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CA ' ' A' ' 36' ' ' GLY . . . -116.59 -157.5 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 35' ' ' GLY . 46.1 mm -93.12 141.04 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 0.798 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 80.6 m-85 -136.98 134.27 36.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -50.73 107.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.47 -57.86 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.08 147.26 31.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 51.7 t -132.09 127.33 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.11 125.79 90.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.02 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 14.1 t0 172.7 40.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.8 p -130.76 170.7 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 16.6 m-20 -61.45 -30.99 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -67.99 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' HG12 ' A' ' 48' ' ' VAL . 4.3 t-160 -42.34 -50.16 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -48.35 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . -43.54 -29.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.91 34.77 1.11 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -90.83 141.7 28.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -149.57 133.83 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -44.82 107.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.91 -45.36 1.04 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.55 115.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -80.9 143.43 32.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 15.4 t -102.93 100.41 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.51 151.3 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.5 t -124.6 107.03 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 66.1 m-20 55.04 52.2 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.0 t0 83.42 -51.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -54.08 120.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.34 134.75 42.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.082 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.5 m-85 -103.4 -7.71 20.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -44.64 -35.53 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 89.18 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 80' ' ' LYS . 15.4 tt -150.69 158.02 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -75.1 149.24 39.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.538 ' O ' HD11 ' A' ' 33' ' ' ILE . 36.7 t-80 -56.55 -45.36 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -57.82 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -45.78 -57.52 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -49.86 -54.86 16.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.447 HG23 HD11 ' A' ' 33' ' ' ILE . 40.0 t -54.47 -54.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.7 mt-10 -54.42 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.653 HD11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 mt -40.27 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.1 mt -39.68 -53.11 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -57.07 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.3 p -38.32 -61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.5 107.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -55.46 -35.08 65.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.04 129.28 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' THR . 7.3 mt -92.09 141.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.422 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -166.37 74.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.17 159.85 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.66 128.1 42.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.573 ' CG2' HG23 ' A' ' 19' ' ' VAL . 17.3 m -131.69 155.53 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.376 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.76 141.8 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.76 158.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -122.79 37.96 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 m 63.31 90.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.62 -169.98 18.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 94.29 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.3 m -81.32 145.98 30.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -127.84 -61.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -162.92 149.35 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.42 170.84 4.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.99 -137.35 7.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -149.16 171.08 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.71 155.92 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.16 107.02 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -166.34 162.41 17.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.1 90.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -119.84 -149.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 47.38 81.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -123.0 140.05 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 14' ' ' PHE . 9.1 pt20 -165.56 -42.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' N ' ' CG ' ' A' ' 13' ' ' GLN . 11.1 m-85 -155.74 49.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 mt -94.97 150.91 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.88 40.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' VAL . 5.7 ptp180 -80.46 164.04 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 1.8 mm -102.89 152.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.226 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 HD11 ' A' ' 59' ' ' LEU . 63.7 t -139.39 95.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 m -101.08 135.35 42.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp -118.23 163.13 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.07 -53.08 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.5 ttpp 59.85 119.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.04 170.33 20.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.81 34.27 6.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.691 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -111.31 -169.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LEU . 34.8 mt-30 -128.6 153.27 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' CE2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -39.43 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.24 2.93 8.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 29' ' ' LEU . 21.0 p90 -159.71 159.87 33.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 19.9 m-80 -115.11 164.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.693 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.3 pp -124.6 146.7 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.418 1.074 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -138.06 169.87 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.61 163.31 30.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.05 114.4 0.98 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.68 -61.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.59 -50.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.5 t -50.35 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 2.1 pp0? 179.05 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER 39.69 -141.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.48 163.24 34.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 23.4 mm -92.4 149.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 56.8 m-85 -152.91 139.99 19.29 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.4 mm -50.41 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -66.66 -58.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -145.14 153.9 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 88.6 t -134.23 132.19 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.97 125.22 89.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 59.39 5.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 155.86 45.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -127.19 -170.66 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.24 -31.76 38.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -70.17 -41.06 74.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -52.1 -47.76 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -39.15 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.35 -30.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.12 31.29 2.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -88.09 143.1 27.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.743 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -146.46 139.19 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.91 107.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 -25.84 4.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 107.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.552 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 1.9 tt0 -67.68 131.19 45.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.735 HG13 ' SD ' ' A' ' 93' ' ' MET . 94.0 t -90.14 93.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 95' ' ' VAL . 2.9 mm? -55.99 -66.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.39 147.26 32.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' CB ' ' A' ' 93' ' ' MET . 69.0 t -119.55 114.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.2 m-80 59.69 42.79 16.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.43 -44.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.98 124.98 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -72.01 125.77 28.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -100.63 7.55 43.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.79 -9.86 56.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -165.93 76.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 12.4 tt -141.18 154.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.44 159.17 24.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 19.9 t-80 -72.76 -51.7 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -35.02 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -44.59 35.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.693 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -60.2 -24.41 64.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 33' ' ' ILE . 31.9 t -84.53 -63.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 84' ' ' ILE . 9.7 pt-20 -44.91 -48.84 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 12.2 mt -45.32 -56.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.77 -35.03 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' THR . 19.4 mttt -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' LYS . 6.8 t -36.66 -40.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ILE . . . -60.35 95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 5.2 ptp180 -45.44 -42.75 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.2 pt-20 -124.61 125.4 44.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 20' ' ' THR . 6.9 mt -84.44 150.62 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.37 60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 110.034 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.842 ' CB ' HG22 ' A' ' 68' ' ' VAL . 3.5 ptp -91.96 165.26 13.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.6 mtt180 -108.57 128.29 54.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.329 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' HA ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -124.65 174.07 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.55 155.45 41.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -76.99 74.97 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -67.14 67.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.088 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 97' ' ' PHE . 5.1 t -176.5 131.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.76 162.88 37.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.57 25.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.423 1.749 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.41 104.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.2 m -97.0 153.48 17.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.107 . . . . 0.0 111.026 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -99.13 169.54 9.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -159.69 140.56 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.76 123.45 1.17 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -178.58 164.19 1.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 0.808 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -42.07 141.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.96 -75.15 0.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 58.62 166.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -134.96 140.19 45.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 64.13 111.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.9 mt -134.93 71.5 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -90.05 164.4 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.465 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 14' ' ' PHE . 5.1 pm0 -165.37 -41.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 13.2 m-85 -160.55 47.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.19 152.94 40.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 165.23 31.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.584 ' NE ' HG23 ' A' ' 95' ' ' VAL . 2.4 ptt180 -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 94' ' ' ARG . 3.2 mm -113.58 115.29 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.89 96.13 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -96.68 135.07 39.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 ' CA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -102.05 166.19 10.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 23' ' ' LYS . 9.1 mmtt -112.08 6.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HE3' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -33.42 121.37 0.46 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.02 164.13 33.94 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 56.66 4.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.55 41.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -132.54 -175.06 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 59.6 mt-30 -113.94 161.74 17.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 mp -52.2 -84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.09 14.4 7.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 15.2 p90 -164.07 158.28 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 0.726 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 4.1 m120 -109.05 139.58 43.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -106.33 132.89 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -129.79 170.59 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.67 -164.82 12.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.19 80.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' ALA . 2.0 pttt -93.99 -49.53 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' LYS . . . -179.27 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.6 t -76.42 61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 59.08 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.6 OUTLIER 55.45 -153.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.18 38.35 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 33.0 mm -89.89 147.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 39.4 m-85 -149.45 161.3 42.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 59' ' ' LEU . 4.1 mm -76.19 97.63 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -58.44 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -146.01 152.9 40.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.8 t -129.87 132.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.15 125.03 89.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.09 56.07 4.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 161.0 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.1 p -125.79 -170.22 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.9 t70 -78.41 -38.92 40.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.08 -45.37 93.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -48.58 -44.63 36.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.54 -40.87 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -43.49 -31.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.37 29.79 2.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD12 ' HB1' ' A' ' 54' ' ' ALA . 15.4 mt -92.66 151.97 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -163.24 145.66 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.38 103.49 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.28 43.88 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.67 100.22 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.7 tt0 -65.93 128.81 37.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.33 107.76 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.725 HD11 ' HE2' ' A' ' 98' ' ' PHE . 2.2 mm? -67.69 -62.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.91 161.5 37.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' A' ' 93' ' ' MET . 73.0 t -135.82 105.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 14.1 m-80 61.33 52.32 3.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.0 t0 82.04 -52.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 109.245 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.79 134.45 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.95 154.76 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -126.2 12.39 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.3 mt-30 -69.47 -28.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 79.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 80' ' ' LYS . 9.1 tt -137.22 153.72 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.48 139.35 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 21.6 t-80 -54.29 -58.77 6.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -45.17 -40.9 7.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.694 ' HG2' HD11 ' A' ' 76' ' ' ILE . 5.1 tptt -62.97 -56.42 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.69 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -43.09 -49.36 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.872 HG23 HD11 ' A' ' 33' ' ' ILE . 97.1 t -63.0 -57.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -52.37 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ALA . 95.7 mt -47.84 -70.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.49 -44.57 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -61.98 -69.82 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 p -49.02 -22.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -87.31 102.46 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -38.42 39.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -121.57 125.03 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CG2' ' SD ' ' A' ' 93' ' ' MET . 60.0 mt -86.87 120.66 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.49 72.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.81 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.88 169.04 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.8 mtt180 -112.91 138.32 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.584 HG23 ' NE ' ' A' ' 17' ' ' ARG . 19.5 m -133.47 167.39 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -157.01 151.2 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.32 83.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.725 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.3 m-85 -91.7 69.83 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t 45.86 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.08 172.73 16.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 149.87 37.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.53 152.3 31.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -96.83 -57.64 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m 67.13 170.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.733 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.64 153.65 20.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.22 -139.3 9.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.62 165.9 10.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 150.22 18.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.11 -168.25 24.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -151.56 148.48 28.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.72 -58.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 49.53 80.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -116.11 63.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 p -128.74 171.85 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -163.01 -44.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.2 36.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -77.87 154.39 80.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.92 163.85 34.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.43 155.29 23.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 8.2 mm -102.12 136.62 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 59' ' ' LEU . 55.6 t -120.75 95.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -102.2 128.41 48.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.09 175.02 5.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LYS . 36.0 mmtt -112.04 -50.37 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' NZ ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 59.57 117.34 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.05 160.53 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 65.57 6.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.03 43.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -121.35 175.59 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.786 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' LEU . 34.8 mt-30 -138.9 55.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD12 ' NZ ' ' A' ' 23' ' ' LYS . 5.4 mp 59.95 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.46 16.88 42.24 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -147.38 161.07 41.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 11.9 m-80 -108.99 128.68 55.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 82' ' ' VAL . 1.2 pp -100.31 138.18 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -137.26 175.19 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 129.44 4.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.4 -128.43 2.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 65.78 -177.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -38.78 -65.49 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' GLN . 42.1 p -47.61 123.96 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 4.7 mt-30 -35.86 -57.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.55 -163.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -148.16 -153.61 6.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 42' ' ' GLY . 32.1 mm -122.78 139.18 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' SER . 46.8 m-85 -146.45 145.81 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.695 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.2 mm -61.34 85.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -48.68 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 164.21 33.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -131.04 133.98 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.11 123.6 85.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.705 ' HA ' ' CD2' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.11 55.08 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 160.61 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -130.5 -168.97 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.56 -27.67 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.1 -48.29 76.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.705 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -47.83 -42.97 27.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.622 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -40.53 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.65 -37.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.28 27.69 3.05 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 29.2 mt -84.04 151.35 25.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 0.698 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -142.84 137.91 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.62 103.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.07 0.79 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.22 112.42 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 130.49 43.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.799 HG13 ' SD ' ' A' ' 93' ' ' MET . 75.7 t -96.56 91.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.78 -67.3 0.3 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.6 139.52 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.767 HG21 ' CE2' ' A' ' 73' ' ' PHE . 81.3 t -107.96 112.36 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 42.5 m-20 60.7 41.2 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.6 t70 87.31 -42.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' VAL . 52.0 t -55.9 128.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.23 130.73 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' HG21 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -107.88 -8.13 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.63 -31.05 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -144.2 76.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 84' ' ' ILE . 2.5 tt -135.04 158.0 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.8 146.36 29.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 13.4 t-80 -52.48 -59.75 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -45.43 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -43.19 84.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -61.09 -45.47 94.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 33' ' ' ILE . 88.4 t -62.03 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.82 -60.36 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 18.7 mt -41.89 -68.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 81' ' ' ALA . 6.2 mt -40.86 -56.7 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ALA . 8.0 mttm -53.23 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.3 p -37.41 -32.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' LYS . . . -80.78 118.68 22.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 29.0 ptt-85 -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.1 pt-20 -111.37 125.68 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.476 HD11 ' HE3' ' A' ' 23' ' ' LYS . 12.2 mt -92.26 124.05 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -149.61 88.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.799 ' SD ' HG13 ' A' ' 65' ' ' VAL . 16.9 ptp -106.78 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 5.5 ttt180 -112.44 108.96 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 19' ' ' VAL . 22.5 m -111.45 158.34 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -154.91 139.82 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -43.84 99.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 43.6 t80 -86.5 55.54 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t 57.91 87.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.072 . . . . 0.0 109.986 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.93 156.8 28.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.69 24.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.592 1.838 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.8 p -89.56 -59.48 2.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.3 p -156.84 114.69 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.053 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -171.0 120.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 110.002 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -103.66 155.83 18.26 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.96 107.26 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.07 139.65 38.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -151.18 77.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.96 -114.63 0.73 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -163.8 163.09 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 0.824 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.82 151.09 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.37 118.76 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -147.13 79.37 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -104.89 153.96 20.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 14' ' ' PHE . 4.5 pm0 -169.17 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 5.8 m-85 -153.49 32.85 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -81.18 160.54 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.14 159.33 42.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.578 HD13 ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -111.34 112.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.15 95.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.454 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.9 m -99.5 135.36 41.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD23 ' HE2' ' A' ' 23' ' ' LYS . 2.1 mp -118.88 149.34 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.3 -3.88 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HE2' HD23 ' A' ' 21' ' ' LEU . 3.7 tppt? -36.68 121.98 0.79 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.01 163.14 35.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.057 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.69 39.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -132.6 146.22 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.15 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 1.3 mp -129.42 -162.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.59 22.9 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 22.0 p90 -168.34 160.73 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -117.53 146.94 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.842 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -104.78 156.55 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 7.4 ptt180 -159.46 173.02 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 60.38 141.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 81.32 1.33 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -148.9 77.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . 39.89 70.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -172.47 51.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 43.33 31.52 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD13 ' HE2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -122.03 147.36 46.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.79 -177.79 19.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 35' ' ' GLY . 33.4 mm -84.16 126.07 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.58 0.812 . . . . 0.0 109.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 82.8 m-85 -125.74 152.51 45.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.596 ' CG2' HG23 ' A' ' 48' ' ' VAL . 4.9 mm -67.49 111.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -75.43 -57.97 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.65 146.39 30.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.596 HG23 ' CG2' ' A' ' 45' ' ' ILE . 24.3 t -128.55 131.56 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.79 126.06 91.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.0 Cg_endo -75.08 58.04 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 156.67 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.0 p -125.32 -171.41 2.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 110.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.1 m-20 -76.54 -30.7 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.866 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -71.44 -43.19 67.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -54.5 -44.51 72.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -46.09 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -44.71 -35.29 2.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.54 34.75 1.05 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.866 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.6 mt -94.45 137.44 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 0.839 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -143.27 138.15 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 113.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.59 -23.14 5.42 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.86 127.81 32.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.34 0.67 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 16.4 tt0 -85.46 149.53 25.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.708 HG13 ' SD ' ' A' ' 93' ' ' MET . 30.1 t -109.5 93.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 mt -55.61 -66.56 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.43 163.65 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 93' ' ' MET . 66.9 t -132.27 105.53 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 22.3 m120 56.78 49.32 14.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.46 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.6 127.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.49 136.76 39.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 1.1 m-85 -109.63 -19.91 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -41.08 -33.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.16 79.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD11 ' A' ' 84' ' ' ILE . 3.8 tt -141.15 161.47 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -80.81 142.48 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 42.8 t-80 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -40.2 48.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.687 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -66.17 -54.05 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.842 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -49.1 -46.72 45.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.427 HG23 HD11 ' A' ' 33' ' ' ILE . 58.7 t -62.46 -62.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' THR . 0.0 OUTLIER -48.59 -53.86 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.687 HD11 ' HG2' ' A' ' 80' ' ' LYS . 37.5 mt -40.38 -60.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.78 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mppp? -43.15 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.4 p -41.05 -48.38 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 104.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -48.76 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -119.71 129.06 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' THR . 20.5 mt -83.59 124.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.454 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -147.56 73.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.851 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -99.79 161.61 13.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.7 ttp180 -107.65 113.93 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.505 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 32.7 m -111.99 166.09 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -155.2 129.39 8.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 5.9 p90 -38.31 119.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -145.64 53.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.2 p -170.24 104.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.82 177.23 16.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.575 1.172 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 128.03 11.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -60.57 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.43 105.97 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 O-C-N 124.452 1.095 . . . . 0.0 111.069 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -60.07 94.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 0.776 . . . . 0.0 110.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -58.9 -58.62 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 123.11 1.18 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -101.72 151.88 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.3 149.67 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.935 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.85 133.36 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -135.24 93.32 2.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -42.73 153.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -155.55 71.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.37 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 47.13 68.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -53.9 165.49 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -170.36 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -158.36 32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.34 154.92 63.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 161.39 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.3 mm -119.37 117.45 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 57' ' ' ALA . 42.3 t -94.71 100.3 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.599 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.7 m -98.14 128.34 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -121.44 176.21 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' LYS . 2.3 tttt -111.43 -74.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 58.95 119.28 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.99 165.42 31.36 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.441 1.758 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 54.65 3.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.432 1.754 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.5 38.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -136.09 151.91 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -62.48 -138.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 2.8 tp -128.68 -65.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.55 8.75 8.92 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' ' 48' ' ' VAL . 15.2 p90 -167.94 159.71 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 17.6 m-20 -112.17 141.08 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -103.48 152.72 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -156.55 151.03 25.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.912 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 83.3 140.82 4.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.92 82.08 0.04 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -160.04 170.57 21.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.95 91.84 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.18 50.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 62.63 29.01 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.07 -159.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . 153.9 -167.72 32.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.912 HD13 ' O ' ' A' ' 35' ' ' GLY . 18.4 mm -87.0 127.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 81.0 m-85 -137.11 128.84 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 59' ' ' LEU . 25.3 mm -45.63 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.5 -62.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.498 ' HE3' HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -146.14 153.27 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.229 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 31' ' ' PHE . 76.1 t -134.53 135.16 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.498 HD11 ' HE3' ' A' ' 47' ' ' LYS . 7.8 mm -66.31 126.94 92.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 56.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 156.43 46.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.0 p -125.36 -176.73 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.45 -30.75 63.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -70.71 -38.97 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -62.49 -29.51 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.679 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -85.72 -37.74 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -55.35 -31.18 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.63 26.27 3.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 13.0 mt -82.16 137.04 35.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.62 146.88 34.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.78 109.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 98' ' ' PHE . . . 126.54 -24.5 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.08 97.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.6 tt0 -65.52 127.0 30.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 93' ' ' MET . 19.4 t -88.09 94.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.557 HD21 ' NE ' ' A' ' 96' ' ' ARG . 81.2 mt -55.54 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.13 161.22 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.755 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.9 t -134.26 107.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 31.5 m-20 51.87 53.52 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.5 t0 82.8 -51.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.2 t -53.98 120.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -76.91 131.77 38.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.964 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 1.3 m-30 -98.23 -4.33 35.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.3 -33.89 21.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -142.81 80.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 4.0 tt -144.57 157.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.78 151.72 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.523 ' O ' HD11 ' A' ' 33' ' ' ILE . 38.4 t60 -60.82 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 93.7 p -47.66 -23.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 78' ' ' HIS . 1.4 tptt -80.85 -50.58 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.964 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -61.39 -50.82 71.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 83' ' ' GLU . 7.4 p -54.98 -54.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' N ' HG13 ' A' ' 82' ' ' VAL . 23.1 mt-10 -54.62 -56.37 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.3 mt -38.35 -57.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.487 HD22 ' CG2' ' A' ' 91' ' ' ILE . 74.4 mt -49.37 -67.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.486 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -47.32 -71.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -38.19 -56.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 132.14 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -42.61 75.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.06 127.51 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CG2' HD22 ' A' ' 85' ' ' LEU . 6.1 mt -90.73 126.07 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.599 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -145.44 77.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.755 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.9 163.08 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.2 ttt180 -107.15 125.77 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.0 m -121.27 158.58 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.557 ' NE ' HD21 ' A' ' 66' ' ' LEU . 26.6 ptt85 -158.3 151.56 23.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -41.45 152.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 35.9 p90 -132.1 9.03 4.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.77 -53.76 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.948 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.18 -145.35 26.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.437 1.085 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 160.4 40.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.65 111.18 18.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.3 m -104.33 104.64 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.09 . . . . 0.0 110.994 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -43.83 131.13 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -172.58 148.62 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.64 135.78 2.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -116.93 169.23 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 0.711 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -146.83 142.12 27.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.57 -142.11 6.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -177.54 111.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -131.25 159.45 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.391 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -128.23 88.96 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 mt -141.52 75.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -129.72 130.51 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.462 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HB3' ' CD2' ' A' ' 14' ' ' PHE . 53.4 mm-40 -155.0 -51.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 14.6 p90 -162.12 26.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.05 157.62 40.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.51 7.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -135.66 150.19 49.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -103.02 109.3 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.746 HG11 HD13 ' A' ' 59' ' ' LEU . 90.4 t -92.55 95.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.2 129.22 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD23 ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -100.3 157.42 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 23' ' ' LYS . 3.2 mttt -103.3 6.0 37.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HE3' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -33.71 121.56 0.49 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.057 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.0 163.74 34.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.51 1.795 . . . . 0.0 111.049 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.62 40.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -131.4 -175.05 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -112.89 158.84 19.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' A' ' 23' ' ' LYS . 1.2 mp -52.22 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.82 10.19 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 9.7 p90 -159.05 157.25 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 29.8 m-80 -103.07 150.92 23.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.73 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -117.44 158.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 1.7 ptp180 -159.59 174.38 14.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.51 -163.09 13.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.405 1.065 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.24 130.75 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.72 175.35 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.21 -61.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -39.83 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.32 -54.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.16 -156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.39 166.56 38.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 43' ' ' ILE . 27.9 mm -81.65 136.27 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 70.9 m-85 -134.14 164.52 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.8 mm -80.86 87.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -52.45 -60.69 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 157.14 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 80.2 t -134.05 135.38 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.474 HG22 ' OD1' ' A' ' 51' ' ' ASP . 32.0 mm -66.83 128.9 94.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.95 55.12 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER 154.67 50.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 p -128.43 -177.03 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' CB ' HD23 ' A' ' 21' ' ' LEU . 3.8 m-20 -71.71 -32.3 67.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -54.5 24.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 1.2 t-160 -46.64 -35.26 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -39.5 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -51.07 -30.58 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.31 38.29 1.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.409 1.068 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.746 HD13 HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -95.79 144.12 26.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -146.65 133.61 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -46.01 115.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.98 54.08 0.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.83 108.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.8 tt0 -65.23 132.64 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 93' ' ' MET . 99.0 t -104.12 93.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.38 -67.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -129.71 170.03 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 93' ' ' MET . 2.5 t -141.27 107.33 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 81.22 -51.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.188 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.01 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.39 157.77 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.81 126.75 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -101.57 33.54 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -88.5 -15.89 34.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -164.06 72.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.479 HD11 ' HG2' ' A' ' 80' ' ' LYS . 6.5 tt -125.11 162.3 27.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.65 144.08 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.95 -64.51 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 -47.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -55.41 -54.6 41.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -51.9 -39.95 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 33' ' ' ILE . 4.8 t -72.51 -25.93 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.0 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -42.55 -57.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.6 mt -46.8 -62.63 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -45.43 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 p -39.16 -71.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.87 109.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 11.1 ptm180 -50.93 -39.17 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.4 pt-20 -121.11 125.9 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 mt -87.91 121.19 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -123.83 78.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.828 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -99.66 137.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.2 ttp180 -99.71 103.97 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 23.3 m -102.5 163.81 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 1.1 ttp180 -156.55 139.19 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 71.3 m-85 -37.49 113.53 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.32 48.7 2.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 m 62.27 134.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.54 152.56 19.5 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.411 1.069 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.98 3.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.4 94.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m 63.25 160.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.016 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -168.11 167.51 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.039 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.88 162.82 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.83 -167.65 12.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -169.53 155.1 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 155.68 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.47 -171.03 14.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 163.31 28.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.13 -62.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -170.49 105.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -143.26 67.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -99.47 116.33 31.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.47 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.532 ' HG2' ' CG ' ' A' ' 14' ' ' PHE . 4.9 pm0 -149.47 -44.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CG ' ' HG2' ' A' ' 13' ' ' GLN . 1.8 p90 -167.37 29.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -83.02 145.03 48.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' N ' HD12 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.0 134.46 17.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.694 ' CG ' HG23 ' A' ' 95' ' ' VAL . 15.5 ptp180 -91.99 166.96 12.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mm -120.17 125.92 74.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 59' ' ' LEU . 84.9 t -112.36 96.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -95.0 135.46 36.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -110.79 156.17 21.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 2.3 tttt -105.38 -11.66 16.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -37.91 130.76 0.93 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 160.17 40.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 111.039 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.15 4.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.05 40.23 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -140.75 171.53 13.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -68.91 116.32 9.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' HE2' ' A' ' 23' ' ' LYS . 1.2 tp -40.25 -61.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.75 6.04 28.88 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 4.5 p90 -162.71 159.07 23.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 35.0 m-80 -114.77 147.91 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pp -111.91 150.41 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 3.8 ptt85 -150.35 171.04 17.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.2 -175.1 24.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.818 ' H ' HD23 ' A' ' 41' ' ' LEU . . . 127.07 -131.99 7.44 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.32 170.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLN . . . -69.73 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t 55.34 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -157.53 -77.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.818 HD23 ' H ' ' A' ' 36' ' ' GLY . 1.0 OUTLIER 39.43 -147.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . 161.31 -177.97 37.42 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' ILE . 8.3 mm -84.73 139.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 86.4 m-85 -138.97 144.46 38.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.9 mm -63.65 89.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.57 -61.72 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -144.42 162.68 35.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.432 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 75.2 t -134.69 125.81 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.611 HG22 ' OD1' ' A' ' 51' ' ' ASP . 49.3 mm -65.94 125.88 90.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.611 ' OD1' HG22 ' A' ' 49' ' ' ILE . 5.7 p-10 166.71 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.4 p -128.14 -168.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.41 -35.88 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.927 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.83 -39.03 92.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 19.0 t-160 -55.59 -43.27 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.7 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 -33.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.49 23.38 4.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.927 HD12 ' HB1' ' A' ' 54' ' ' ALA . 11.3 mt -77.67 139.28 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -132.92 143.32 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.18 101.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.76 40.16 0.54 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.2 104.91 12.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 0.791 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.2 tt0 -65.35 129.81 41.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 93' ' ' MET . 57.8 t -95.77 100.22 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.5 mt -56.75 -64.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.79 161.61 35.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.4 t -134.32 105.26 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 29.4 m-80 57.59 52.49 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.8 t70 81.93 -53.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -54.18 125.62 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.35 145.53 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -114.52 -12.37 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.39 -26.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PHE . 35.7 t0 -147.25 71.39 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.8 tt -127.67 156.36 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -81.4 138.32 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.2 t-80 -44.67 -59.81 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.94 -49.88 38.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.385 1.053 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.737 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -47.8 -52.21 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 33' ' ' ILE . 51.8 t -55.94 -44.07 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -65.08 -61.75 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' GLU . 46.0 mt -40.54 -65.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -63.57 -74.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.6 p -38.42 -56.5 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.83 107.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -40.8 46.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -122.32 130.52 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.99 129.72 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 68.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.89 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.21 170.13 10.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -110.26 137.56 47.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.694 HG23 ' CG ' ' A' ' 17' ' ' ARG . 17.3 m -135.88 161.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -161.89 137.92 7.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.363 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.63 111.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -96.23 62.63 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t 43.09 86.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.37 148.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 70.07 5.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 p -171.51 164.05 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.21 -53.57 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.84 154.45 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.29 123.4 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.63 111.14 2.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.89 166.38 26.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.15 122.71 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.27 152.49 10.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -135.62 95.17 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.96 109.57 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.19 119.63 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 43.64 71.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 t -64.41 134.27 54.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 59.5 mm-40 -155.55 -44.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 21.3 m-85 -156.63 35.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.23 162.96 5.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -178.79 4.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 157.87 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -108.21 110.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.02 HG11 ' CD1' ' A' ' 59' ' ' LEU . 38.5 t -100.71 96.96 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 138.16 31.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 54' ' ' ALA . 1.8 mp -107.16 163.03 13.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.89 -14.25 14.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -37.97 130.59 0.95 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -74.96 160.88 39.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.41 1.742 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.25 4.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.07 40.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.092 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -143.09 168.68 19.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.98 121.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.685 HD23 ' CE2' ' A' ' 31' ' ' PHE . 1.4 tp -42.7 -51.87 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.86 1.71 42.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CE2' HD23 ' A' ' 29' ' ' LEU . 7.8 p90 -158.35 159.84 36.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -108.6 151.37 26.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -118.45 143.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -146.86 176.76 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.39 -155.38 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.91 -104.16 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt 76.2 168.47 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 0.757 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.83 -59.02 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.05 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.11 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 172.57 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 42.25 -147.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.79 178.26 29.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' ILE . 21.7 mm -91.1 133.81 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 22.9 m-85 -132.14 160.43 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 15.1 mm -71.94 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 159.34 43.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 67.3 t -133.96 130.82 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.5 127.14 93.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 55.38 3.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER 162.86 43.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 p -125.82 -175.41 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.82 -34.9 57.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.51 -38.02 86.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.73 -38.98 73.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.547 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -43.69 14.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.32 -36.04 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.55 38.42 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.02 ' CD1' HG11 ' A' ' 19' ' ' VAL . 4.3 mp -94.25 142.71 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -144.32 138.71 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.25 104.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.1 -40.07 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -48.13 139.32 8.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.578 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 4.8 tt0 -104.56 139.71 39.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 25.1 t -96.8 104.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.79 -63.03 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.49 157.95 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 83.7 t -136.85 109.98 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.4 33.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.93 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.2 t -112.17 136.76 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.78 115.23 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -101.91 -16.37 16.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -42.35 -27.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.9 m-20 -146.16 79.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 84' ' ' ILE . 3.2 tt -136.26 153.64 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -74.74 141.15 44.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -46.16 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.94 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -48.7 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -60.99 -43.9 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 33' ' ' ILE . 90.9 t -60.04 -49.04 85.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' THR . 1.6 mp0 -61.69 -59.17 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.211 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 76' ' ' ILE . 38.6 mt -41.29 -64.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.19 -48.91 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -60.59 -71.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.9 p -40.67 -63.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.83 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -39.19 -51.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.54 128.26 55.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.2 mt -83.66 127.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.35 73.8 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -98.11 160.34 14.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -108.91 113.99 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 64' ' ' GLN . 9.0 m -108.24 161.48 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 6.3 ttt180 -148.91 139.3 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -63.55 106.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -110.26 65.33 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.35 94.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.007 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.15 -147.38 21.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.68 27.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 t 54.86 73.2 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.1 p -140.24 142.74 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -134.2 167.22 21.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.9 145.06 17.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.59 67.72 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 p -140.99 164.32 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 0.83 . . . . 0.0 110.066 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -50.71 132.94 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.17 109.18 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.42 1.075 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.46 109.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -174.46 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 68.39 124.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -143.36 77.23 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.4 m -72.17 142.82 49.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -154.43 -46.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -162.05 26.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.14 154.39 30.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.778 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.1 mm -109.57 107.95 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 59' ' ' LEU . 96.0 t -95.23 96.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -87.84 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' LEU . 3.1 tp -105.22 169.23 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -114.3 -12.08 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -39.22 129.42 1.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.02 157.97 42.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.569 1.826 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.36 4.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.24 40.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -152.28 174.52 13.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.91 149.23 49.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.985 HD12 ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -70.72 -71.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.82 -2.81 6.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.985 ' CE2' HD12 ' A' ' 29' ' ' LEU . 43.6 p90 -146.72 162.63 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 0.806 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' SER . 40.3 m-80 -112.16 133.55 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 82' ' ' VAL . 1.9 pt -103.11 150.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -156.14 174.25 15.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.26 -166.63 24.51 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.94 -145.08 18.64 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.41 168.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.799 . . . . 0.0 109.355 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.73 95.72 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -179.96 48.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 59.26 61.64 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.7 mt -138.79 -165.02 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -156.47 23.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.42 132.09 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 74.9 m-85 -135.55 150.29 49.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 11.1 mm -68.82 76.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -39.31 -61.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 160.45 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.424 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 54.3 t -127.63 135.31 63.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.76 127.68 93.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.08 55.6 4.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 5.7 m-20 155.42 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -134.28 172.84 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ALA . 9.6 m-20 -62.55 -31.07 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 59' ' ' LEU . . . -67.32 -29.78 69.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -78.22 -36.27 47.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.587 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.13 -15.84 39.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -82.4 -5.37 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 -5.45 76.05 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 HG11 ' A' ' 19' ' ' VAL . 5.3 tp -51.52 141.52 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -149.26 173.22 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.5 117.07 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.71 -29.16 5.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.9 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.6 tt0 -70.67 132.0 44.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t -88.17 98.4 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.67 -64.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.18 158.45 43.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.761 HG12 ' ND2' ' A' ' 69' ' ' ASN . 98.6 t -136.43 134.08 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.761 ' ND2' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER 40.83 39.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 3.3 m-20 85.95 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' VAL . 22.0 t -56.49 122.21 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.86 140.14 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 2.2 m-30 -109.81 3.52 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.55 -20.41 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -165.95 80.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 84' ' ' ILE . 13.0 tt -134.47 159.45 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.48 146.29 48.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.537 ' O ' HD11 ' A' ' 33' ' ' ILE . 27.2 t-80 -57.99 -50.29 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -49.83 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.621 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -55.77 -49.75 72.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -54.26 -38.46 65.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 33' ' ' ILE . 33.6 t -73.24 -41.82 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' THR . 1.5 mp0 -66.1 -61.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 76' ' ' ILE . 14.3 mt -40.32 -57.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 63.0 mt -47.18 -55.43 8.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 mttp -59.75 -69.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.7 p -38.35 -55.24 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' ARG . . . -55.92 99.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' ALA . 18.8 ptt180 -37.89 -47.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.65 126.17 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.17 124.04 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.65 76.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.756 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.06 162.96 12.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 mtp180 -113.43 115.64 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 7.0 m -110.53 162.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.85 130.16 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.39 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 29.9 t80 -92.64 60.5 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 t -178.38 139.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.77 173.33 23.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.35 36.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.85 -58.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.6 t -76.94 97.34 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -158.67 162.36 37.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -145.57 169.13 19.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.56 137.05 16.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.64 165.82 18.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.727 . . . . 0.0 110.011 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -126.5 142.06 51.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.03 79.36 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.591 1.182 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -157.19 -52.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.91 156.54 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.44 50.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -114.96 49.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' THR . 13.0 t -76.41 113.56 14.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 34.9 mt-30 -151.49 -47.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 2.5 m-85 -159.01 33.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.74 158.39 1.62 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.38 157.82 45.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.415 HD11 ' NE ' ' A' ' 94' ' ' ARG . 3.4 mm -112.89 112.68 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.904 HG13 ' HB1' ' A' ' 57' ' ' ALA . 89.3 t -103.56 95.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.78 135.96 37.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -121.76 155.11 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' LYS . 10.2 tttm -89.83 -70.38 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.615 ' CD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER 61.4 126.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.864 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.01 162.82 36.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.36 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.35 41.73 1.34 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.864 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -106.63 165.58 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.52 25.52 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' CD ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER 66.09 140.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.56 7.72 56.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HZ ' HD22 ' A' ' 85' ' ' LEU . 3.7 p90 -152.11 175.88 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -119.54 156.24 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.046 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -128.6 137.6 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 35.4 ptt180 -138.16 178.29 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.59 148.98 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 131.27 150.28 6.67 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER 39.85 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.05 -64.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -153.47 81.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 41.43 37.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.9 158.04 15.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.11 -153.35 9.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -106.86 142.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 88.9 m-85 -144.37 154.04 42.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -71.23 78.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -46.14 -56.34 5.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.46 160.84 41.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 73.5 t -134.12 136.08 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.07 124.24 87.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.05 55.4 3.96 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER 160.03 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.087 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -127.59 -171.4 2.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -77.44 -35.83 53.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -64.47 -43.31 94.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 4.2 t-160 -55.57 -33.3 63.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.0 -42.0 12.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.904 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -46.74 -29.47 1.93 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.08 31.62 2.62 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.815 HD13 HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -86.64 142.8 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 0.804 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -146.41 140.37 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -49.38 105.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.18 -31.82 1.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.595 1.185 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.38 134.73 56.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.786 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 4.8 tt0 -107.27 137.73 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.629 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -87.98 111.44 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.787 HD21 ' HE2' ' A' ' 98' ' ' PHE . 88.9 mt -75.74 -62.15 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -149.94 150.97 32.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.738 HG13 ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -134.26 131.64 55.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 61.7 m-80 48.22 30.18 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 78.9 34.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 84' ' ' ILE . 93.1 t -108.89 153.92 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -105.22 101.96 11.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.738 ' CE1' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -86.29 -26.16 25.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PHE . 34.0 mt-30 -38.47 -37.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.94 73.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 84' ' ' ILE . 2.2 tt -130.84 162.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' LYS . 12.9 mp0 -86.96 130.45 34.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 43.2 t-80 -39.41 -50.56 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -45.89 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -64.68 -45.64 85.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -54.3 -47.58 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 1.046 HG23 HD11 ' A' ' 33' ' ' ILE . 60.4 t -64.89 -29.5 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.53 -61.39 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.218 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 HG11 ' A' ' 71' ' ' VAL . 6.3 mt -40.17 -47.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mt -62.0 -68.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' THR . 16.6 mttt -42.04 -69.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 42.7 p -37.48 -71.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' LEU . . . -56.01 119.46 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 33.7 ptt-85 -56.36 -49.18 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 9.2 pt-20 -107.43 122.62 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.67 ' CG2' HD23 ' A' ' 85' ' ' LEU . 4.4 mt -91.38 106.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.32 71.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.629 ' HB2' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.1 157.47 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' NE ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -107.26 106.74 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 4.3 m -98.35 158.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -153.57 135.43 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.24 99.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.787 ' HE2' HD21 ' A' ' 66' ' ' LEU . 2.0 m-85 -104.27 67.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.0 155.8 26.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.71 26.4 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 86.9 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -62.98 153.52 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.704 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.457 HD12 ' HD2' ' A' ' 94' ' ' ARG . 2.5 mm -116.32 112.55 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.82 HG11 HD13 ' A' ' 59' ' ' LEU . 75.3 t -97.02 95.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -96.81 135.5 38.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -169.1 161.7 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 0.745 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.0 m-20 -111.68 169.77 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.376 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -132.28 139.37 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -123.81 172.43 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.6 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 35' ' ' GLY . 24.7 mm -98.86 110.64 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 37.2 m-85 -120.8 164.4 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.5 mm -71.97 90.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 1.1 p -56.0 -59.92 4.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 46' ' ' SER . 28.4 ttpt -145.47 151.27 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.1 t -127.69 132.03 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mm -66.04 128.0 93.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 56.17 4.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.6 m-20 157.64 49.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.7 p -131.23 -175.71 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -69.41 -39.99 77.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.51 -53.22 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -47.84 -33.65 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.8 -41.77 14.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.52 6.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.78 32.62 4.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.059 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.82 HD13 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -81.14 144.31 31.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -145.72 133.38 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -46.46 99.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.5 -34.12 1.52 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.5 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -65.37 142.48 58.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 12.2 t -100.24 97.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.57 -64.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.37 156.69 47.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.0 t -129.52 113.14 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 11.9 m-80 57.93 48.05 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 12.2 t0 83.47 -50.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.64 131.28 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.03 144.19 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -116.1 29.37 8.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.42 -31.82 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -140.31 74.53 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tt -139.97 156.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.37 155.12 41.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 22.1 t-80 -63.41 -49.64 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -42.5 73.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -61.51 -46.42 90.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.704 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.33 -38.08 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 33' ' ' ILE . 54.2 t -74.32 -44.13 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 87' ' ' THR . 2.2 mt-10 -62.69 -59.93 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.92 -67.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.0 mt -41.0 -57.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' THR . 23.1 mttt -53.43 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' GLU . 67.4 p -37.79 -61.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.68 113.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.78 -47.1 74.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.95 128.39 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.2 mt -86.93 131.27 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 72.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.912 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.02 164.01 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -102.89 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' CG ' ' A' ' 17' ' ' ARG . 10.0 m -117.34 162.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -159.39 154.79 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.224 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 12.9 p90 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.4 mm -116.37 115.72 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.4 95.96 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.852 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -95.19 133.02 39.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 57' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -163.1 156.79 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.404 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 33.4 m-20 -107.72 143.81 35.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -107.92 147.39 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -139.99 177.95 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 mm -101.65 139.53 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -145.24 161.08 40.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 59' ' ' LEU . 5.1 mm -71.87 102.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -64.9 -58.68 5.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.907 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 154.38 41.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 76.2 t -132.34 138.35 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.5 mm -66.35 124.87 89.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.95 56.65 4.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 155.66 45.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.1 p -127.35 -172.89 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.568 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 m-20 -77.67 -34.36 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.871 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.4 -47.94 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -53.03 -41.41 64.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.594 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.69 -43.94 29.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.679 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -45.45 -29.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 25.59 4.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.2 mt -82.69 143.6 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -142.76 146.72 34.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.17 103.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.11 35.87 0.91 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.145 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.36 118.73 37.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 1.9 tt0 -70.91 127.44 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.694 HG13 ' SD ' ' A' ' 93' ' ' MET . 60.1 t -97.04 98.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.44 -65.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 154.37 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 93' ' ' MET . 32.7 t -126.24 119.8 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.44 HD21 ' HB1' ' A' ' 88' ' ' ALA . 8.8 m-80 59.63 28.22 17.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER 77.87 23.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.65 122.87 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.55 111.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.74 -24.65 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.5 -28.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' PHE . 77.4 m-20 -138.33 73.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 tt -136.36 162.25 35.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -89.66 140.79 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.89 -59.52 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.546 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 -47.89 23.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -46.32 90.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.696 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -55.41 -53.01 61.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.842 HG23 HD11 ' A' ' 33' ' ' ILE . 43.1 t -54.85 -49.3 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.1 mt-10 -58.81 -62.52 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 79.0 mt -39.95 -61.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.61 -61.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -47.82 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 87' ' ' THR . 67.4 p -38.55 -63.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB1' HD21 ' A' ' 69' ' ' ASN . . . -42.85 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -52.77 -38.78 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 6.4 pt-20 -123.31 126.96 47.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 20' ' ' THR . 22.7 mt -86.41 124.47 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.852 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -146.21 70.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.786 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -98.07 167.07 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 ttt180 -111.75 119.11 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.9 m -115.88 166.6 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.204 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 130.44 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 40.8 p90 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.1 mm -108.98 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 59' ' ' LEU . 14.5 t -92.25 96.99 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ILE . 6.2 m -96.57 139.8 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.3 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -163.07 160.77 24.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.543 0.79 . . . . 0.0 110.971 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -103.87 156.89 17.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.358 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.908 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -124.36 131.69 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -124.57 174.75 7.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 35.3 mm -91.11 133.89 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.6 155.94 49.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.1 mm -69.25 90.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -58.88 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.35 158.58 43.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 95.4 t -133.91 131.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.06 126.37 92.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.511 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.01 54.76 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 163.71 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.8 p -126.0 -171.49 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.96 -39.85 49.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.18 -43.6 98.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.511 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 6.7 t-160 -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -89.4 -34.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -18.74 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 29.81 6.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -82.44 143.39 31.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.353 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -145.8 137.3 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.17 100.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.58 44.92 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.91 107.8 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.67 126.52 29.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -91.38 100.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -62.91 -64.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -133.01 167.95 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 3.7 t -141.28 126.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 15.5 m-80 44.52 48.06 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.9 t0 82.51 -51.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.28 134.67 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.08 145.24 40.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -117.3 -8.7 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -49.58 -23.87 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -149.65 68.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.548 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.8 tt -128.15 156.5 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.6 143.82 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 17.1 t-80 -51.74 -57.36 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -40.87 71.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -43.85 98.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -64.47 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.908 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -66.82 -45.46 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 87' ' ' THR . 0.5 OUTLIER -63.38 -62.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.8 mt -40.99 -67.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.1 mt -40.99 -66.6 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -44.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -37.89 -59.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.78 108.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 9.9 ptp180 -52.33 -39.08 60.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 10.1 pt-20 -121.73 125.97 47.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 20' ' ' THR . 7.3 mt -83.46 140.48 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 8.8 t -148.15 77.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -108.33 148.24 30.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.6 ttt180 -103.6 108.99 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.24 163.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -158.5 136.72 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.18 135.58 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 59' ' ' LEU . 15.0 t -121.44 96.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -94.25 127.69 40.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.454 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.603 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 41.2 p90 -164.06 167.21 20.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -119.08 146.35 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.885 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.4 pt -104.87 155.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 6.5 ptt180 -154.67 159.9 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.799 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.396 1.06 . . . . 0.0 111.071 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.9 mm -87.86 137.53 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 32.5 m-85 -141.4 150.08 41.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.571 ' CG2' HG23 ' A' ' 48' ' ' VAL . 9.2 mm -62.89 94.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -60.81 -58.62 7.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -145.7 151.77 38.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.571 HG23 ' CG2' ' A' ' 45' ' ' ILE . 59.2 t -130.94 134.15 62.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.97 124.14 86.91 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.394 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.97 58.75 4.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.8 m-20 156.07 45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -127.4 -171.57 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HB2' HD23 ' A' ' 21' ' ' LEU . 4.8 m-20 -76.77 -32.4 57.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.652 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -67.7 -46.83 71.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 t-160 -53.25 -26.11 16.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -98.73 -32.09 11.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -57.7 -20.86 37.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 34.15 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -91.34 144.2 25.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.43 139.89 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.77 104.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.15 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.86 111.95 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.2 tt0 -67.13 125.09 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.691 HG13 ' SD ' ' A' ' 93' ' ' MET . 24.2 t -94.66 95.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.65 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.69 165.8 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 93' ' ' MET . 50.6 t -137.64 108.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 43.9 m-80 58.69 47.0 13.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.2 t0 83.93 -50.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -54.08 122.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.53 130.4 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.664 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -97.25 -9.91 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -47.17 -26.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -150.41 82.8 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 84' ' ' ILE . 2.9 tt -143.31 161.71 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.51 147.27 30.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.556 ' O ' HD11 ' A' ' 33' ' ' ILE . 21.1 t-80 -55.33 -61.98 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -39.31 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -50.45 67.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.885 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.96 -42.22 75.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.067 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.455 HG23 HD11 ' A' ' 33' ' ' ILE . 13.9 t -65.91 -47.94 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -61.53 -56.58 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 76' ' ' ILE . 94.0 mt -41.12 -57.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.603 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 25.4 mt -48.99 -63.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 21.1 mttt -51.53 -69.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.1 p -38.7 -42.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.99 106.71 3.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 5.5 ptp180 -45.34 -50.56 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 4.4 pt-20 -118.05 129.69 55.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 20' ' ' THR . 5.2 mt -83.31 149.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 63.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.7 ptp -94.56 160.54 14.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -109.94 112.31 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 33.3 m -109.39 173.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -162.64 153.34 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.594 HH11 HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mm -108.52 109.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG13 ' HB1' ' A' ' 57' ' ' ALA . 51.6 t -92.69 97.47 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.8 m -94.66 133.56 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 57' ' ' ALA . 5.9 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' C ' HG12 ' A' ' 49' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 25.9 p90 -166.93 163.28 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -117.44 157.28 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.903 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.2 pt -113.3 152.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -149.08 159.1 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 73' ' ' PHE . 33.0 mm -100.61 146.47 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 88.2 m-85 -149.97 140.39 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.3 mm -56.81 104.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -62.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -141.13 146.31 36.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 65.4 t -130.69 129.52 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 ' C ' ' A' ' 30' ' ' GLY . 5.7 mm -65.88 130.33 94.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.49 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.94 53.51 3.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 163.57 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -179.26 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.21 -36.54 71.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.96 -44.91 79.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 8.6 t-160 -54.69 -30.24 55.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -91.91 -29.69 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.66 -31.74 72.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.09 34.41 1.14 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 54' ' ' ALA . 1.6 mp -91.02 140.71 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -148.59 138.85 22.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.49 103.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.0 -18.9 3.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.16 116.03 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 11.5 tt0 -77.27 147.2 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 ' SD ' ' A' ' 93' ' ' MET . 21.7 t -107.53 98.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.88 -65.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.99 159.36 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.901 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.8 t -135.68 107.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 54.9 m-80 58.95 51.9 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.0 t0 81.84 -52.98 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.08 126.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.69 152.67 43.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.625 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -124.89 23.52 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -28.92 31.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 1.5 p-10 -149.74 85.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 ' HG2' ' A' ' 80' ' ' LYS . 11.5 tt -149.65 157.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.96 145.63 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.596 ' O ' HD11 ' A' ' 33' ' ' ILE . 3.7 t-80 -61.15 -50.76 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.202 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -33.36 66.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.744 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -68.49 -52.58 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.903 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -48.98 -45.74 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 33' ' ' ILE . 49.6 t -61.7 -63.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.71 -50.9 31.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.5 mt -43.51 -54.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -55.88 -53.64 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -52.31 -61.53 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -57.33 -21.92 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.9 93.68 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.36 -39.7 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.02 125.63 44.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.89 141.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.63 61.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.901 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.8 ptp -91.85 161.31 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 2.1 ttp180 -112.9 110.25 20.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG23 HH11 ' A' ' 17' ' ' ARG . 34.7 m -105.25 165.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -163.81 127.36 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.3 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 94' ' ' ARG . 1.2 mm -110.14 144.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 59' ' ' LEU . 26.5 t -135.7 95.88 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.543 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.0 OUTLIER -86.29 128.73 34.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.812 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -150.16 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -114.03 136.91 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.749 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -105.96 152.06 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -148.7 174.38 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.747 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.3 mm -93.13 122.08 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 49.1 m-85 -133.19 146.4 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.3 mm -60.48 85.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -50.5 -59.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.92 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 74.7 t -132.94 133.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.7 128.05 93.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.06 56.49 4.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.6 m-20 154.97 50.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -133.75 -176.36 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.512 ' HB2' HD23 ' A' ' 21' ' ' LEU . 1.3 m-20 -68.47 -37.57 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -61.89 -52.09 65.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -48.52 -27.96 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -95.78 -31.1 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -59.44 -22.51 61.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.12 18.39 17.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 142.28 55.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.241 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -141.94 130.49 22.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -47.25 105.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.54 2.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.606 1.191 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -52.14 102.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.3 tt0 -66.31 126.41 28.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 40.1 t -84.44 88.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 95' ' ' VAL . 4.1 mm? -49.32 -67.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.65 158.97 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.714 HG22 ' HB3' ' A' ' 93' ' ' MET . 86.9 t -125.71 122.88 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m-80 54.72 29.42 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 78.22 27.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 68' ' ' VAL . 21.6 t -113.63 121.48 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 2.5 p30 -57.46 114.48 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -103.48 -15.53 15.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -41.88 -28.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.1 t0 -150.76 93.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 80' ' ' LYS . 11.0 tt -150.83 158.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.44 133.96 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 38.5 t-80 -43.75 -56.69 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.36 -53.91 15.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.16 -54.93 17.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -47.17 -51.16 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.404 HG23 HD11 ' A' ' 33' ' ' ILE . 49.0 t -62.88 -57.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -47.97 -58.45 4.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' ALA . 10.8 mt -41.0 -67.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.98 -54.75 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -52.58 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.387 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -52.05 -20.49 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -88.02 107.55 18.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 2.8 ptp180 -50.37 -51.11 48.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.28 126.78 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' THR . 57.7 mt -89.93 123.61 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -145.58 68.11 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.714 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.34 163.92 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.495 ' HG3' HD13 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -108.24 133.82 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.508 ' HA ' HD23 ' A' ' 66' ' ' LEU . 29.7 m -128.13 172.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.97 144.95 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.614 HD13 ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -111.93 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 59' ' ' LEU . 99.5 t -92.67 96.19 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' ILE . 1.9 m -98.35 134.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 54' ' ' ALA . 3.2 mp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.511 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 36.3 p90 -163.28 153.2 15.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' LYS . 31.3 m-20 -106.22 164.1 12.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -128.13 138.77 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 27.0 ptt85 -127.85 162.03 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 29.0 mm -128.21 110.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 94.2 m-85 -118.47 150.39 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.8 mm -68.14 91.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -56.91 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -146.87 135.93 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 142.93 38.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 49' ' ' ILE . 5.6 mm -66.15 120.86 73.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.07 51.83 2.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 22.8 t0 173.2 39.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -132.69 171.75 13.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.87 -40.72 61.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -60.48 -71.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 50' ' ' PRO . 9.1 t-80 -42.61 -48.35 5.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.584 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -38.34 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -57.62 -21.04 37.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.14 27.44 3.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' A' ' 54' ' ' ALA . 3.1 mp -79.28 141.37 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -150.93 134.03 16.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.71 100.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.63 41.1 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -116.81 103.86 10.75 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.567 0.804 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.1 tt0 -65.41 139.56 58.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 68' ' ' VAL . 94.5 t -103.34 88.65 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.77 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 156.81 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.3 t -125.89 108.02 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 45.8 m-80 60.3 45.72 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.7 t0 85.2 -47.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.91 128.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -73.94 138.68 44.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -112.9 -7.41 13.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.75 -25.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -148.67 78.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 80' ' ' LYS . 3.5 tt -133.88 160.08 42.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.01 145.13 30.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.0 t-80 -52.05 -64.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.33 -40.53 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.73 -51.85 67.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.827 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.06 -49.98 70.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.462 HG23 HD11 ' A' ' 33' ' ' ILE . 75.7 t -58.7 -49.45 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ILE . 3.5 mt-10 -60.06 -60.31 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 58.7 mt -40.4 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.3 mt -43.08 -49.45 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -62.16 -72.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -39.61 -57.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.43 108.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.63 -34.57 71.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -125.72 129.97 50.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 20' ' ' THR . 17.6 mt -95.47 139.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.85 68.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -94.5 168.0 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.614 ' HG3' HD13 ' A' ' 18' ' ' ILE . 4.7 mtt180 -112.16 108.0 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 35.2 m -106.05 169.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.4 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 15.0 ttt180 -164.12 137.83 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 19.3 p90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -108.2 112.01 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 59' ' ' LEU . 59.2 t -94.68 103.45 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.863 HG23 ' OG ' ' A' ' 92' ' ' SER . 0.8 OUTLIER -94.73 127.05 40.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 4.9 p90 -151.58 158.89 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.594 0.82 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.418 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 68.4 m-20 -108.89 142.26 39.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -109.25 156.99 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -156.24 176.43 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 73' ' ' PHE . 21.2 mm -89.86 123.91 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 27.2 m-85 -126.9 147.86 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.2 80.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -45.7 -62.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 160.65 41.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.24 137.46 56.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.55 HG22 ' OD1' ' A' ' 51' ' ' ASP . 29.1 mm -67.81 125.85 91.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.575 1.829 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD1' HG22 ' A' ' 49' ' ' ILE . 1.0 OUTLIER 154.26 48.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p -138.31 171.9 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ALA . 23.7 m-20 -63.66 -28.03 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.85 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -68.64 -23.95 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.384 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.508 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -86.24 -24.04 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.634 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.07 -23.55 16.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 56' ' ' ARG . . . -62.83 -46.41 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.25 44.65 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -102.29 141.69 34.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -137.35 134.63 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -49.09 103.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.51 -20.11 3.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -65.85 130.1 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 3.6 tt0 -96.81 133.29 41.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -89.18 105.24 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.59 -63.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.41 156.7 47.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.872 HG22 ' HB3' ' A' ' 93' ' ' MET . 39.4 t -132.97 105.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 27.2 m-80 58.89 49.57 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.2 t70 83.06 -50.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.93 134.98 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.97 151.79 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -130.86 27.92 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.02 -22.99 36.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -157.2 91.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 84' ' ' ILE . 16.3 tt -148.49 159.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -74.43 132.84 42.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.497 ' O ' HD11 ' A' ' 33' ' ' ILE . 23.6 t-80 -41.82 -60.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.83 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.11 -54.94 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -46.81 -50.32 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.578 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -61.45 -48.27 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -57.04 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 76' ' ' ILE . 91.8 mt -43.17 -65.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -42.59 -46.0 4.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.81 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -48.06 -23.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.52 102.31 13.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -43.89 -50.86 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.77 126.83 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -84.63 125.07 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.863 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -147.99 77.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.872 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -100.11 170.36 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -117.32 121.06 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.534 HG22 HG23 ' A' ' 19' ' ' VAL . 18.7 m -114.49 166.8 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -164.3 128.28 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HG23 ' A' ' 95' ' ' VAL . 5.5 ptp180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.0 mm -116.59 135.22 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 59' ' ' LEU . 74.9 t -116.68 95.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.1 129.38 44.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 20' ' ' THR . 6.0 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HE1' HD13 ' A' ' 85' ' ' LEU . 5.0 p90 -160.38 162.97 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' SER . 27.1 m-20 -112.57 144.37 42.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -112.2 145.94 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 10.9 ptt180 -151.43 173.85 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 35' ' ' GLY . 47.9 mm -98.47 140.14 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 30.1 m-85 -143.58 150.61 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.7 mm -66.2 81.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -44.94 -56.9 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.955 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 161.49 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 53.2 t -133.55 136.4 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 mm -66.09 124.17 87.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.0 56.25 4.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER 158.88 44.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -127.81 -173.53 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 25.7 m-20 -76.12 -34.59 59.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -65.37 -38.84 91.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -61.03 -28.61 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -93.66 -38.78 11.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.29 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.4 23.08 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.7 mt -78.19 138.8 38.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 0.75 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 149.25 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.78 112.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.52 -2.12 8.15 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD2' HD23 ' A' ' 59' ' ' LEU . 2.5 m-20 -77.03 105.01 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.8 tt0 -70.68 132.46 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.74 HG22 ' SD ' ' A' ' 93' ' ' MET . 77.5 t -95.27 102.49 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.63 -64.22 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 163.02 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 93' ' ' MET . 63.7 t -137.53 105.51 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 20.9 m-80 56.8 53.13 8.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.0 t0 82.17 -52.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -53.78 125.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.4 136.26 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CE2' HG21 ' A' ' 68' ' ' VAL . 1.3 m-85 -102.97 -7.43 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -47.81 -26.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.43 71.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 84' ' ' ILE . 4.2 tt -131.58 156.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.48 146.29 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 33' ' ' ILE . 43.8 t-80 -54.28 -55.55 27.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -34.09 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.186 . . . . 0.0 110.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.21 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -57.12 -49.0 77.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' ILE . 39.6 t -56.56 -59.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -51.39 -60.4 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 76' ' ' ILE . 69.9 mt -39.75 -68.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD13 ' HE1' ' A' ' 31' ' ' PHE . 22.2 mt -40.49 -59.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' THR . 3.4 mtpm? -51.41 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.343 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' LYS . 10.3 p -38.07 -34.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -73.35 99.96 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 6.0 ptp180 -45.11 -45.15 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 5.6 pt-20 -121.31 128.37 52.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 20' ' ' THR . 34.0 mt -86.81 138.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -154.66 65.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.855 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -94.29 156.07 16.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.1 ttt180 -101.06 118.09 36.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 17' ' ' ARG . 29.5 m -117.68 158.9 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -152.08 139.69 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' C ' ' A' ' 17' ' ' ARG . 1.2 mp -100.63 124.04 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.573 HG23 ' CG2' ' A' ' 95' ' ' VAL . 73.2 t -98.81 95.11 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.8 m -97.82 134.18 41.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 19.2 p90 -162.9 157.95 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -114.95 155.31 27.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.739 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.1 pp -114.22 155.17 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 8.1 ptt180 -158.05 175.85 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 35' ' ' GLY . 46.1 mm -93.12 141.04 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 0.798 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 80.6 m-85 -136.98 134.27 36.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -50.73 107.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.47 -57.86 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.08 147.26 31.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 51.7 t -132.09 127.33 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.11 125.79 90.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.02 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 14.1 t0 172.7 40.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.8 p -130.76 170.7 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 16.6 m-20 -61.45 -30.99 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -67.99 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' HG12 ' A' ' 48' ' ' VAL . 4.3 t-160 -42.34 -50.16 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -48.35 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . -43.54 -29.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.91 34.77 1.11 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -90.83 141.7 28.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -149.57 133.83 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -44.82 107.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.91 -45.36 1.04 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.55 115.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -80.9 143.43 32.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 15.4 t -102.93 100.41 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.51 151.3 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.5 t -124.6 107.03 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 66.1 m-20 55.04 52.2 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.0 t0 83.42 -51.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -54.08 120.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.34 134.75 42.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.082 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.5 m-85 -103.4 -7.71 20.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -44.64 -35.53 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 89.18 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 80' ' ' LYS . 15.4 tt -150.69 158.02 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -75.1 149.24 39.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.538 ' O ' HD11 ' A' ' 33' ' ' ILE . 36.7 t-80 -56.55 -45.36 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -57.82 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -45.78 -57.52 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -49.86 -54.86 16.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.447 HG23 HD11 ' A' ' 33' ' ' ILE . 40.0 t -54.47 -54.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.7 mt-10 -54.42 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.653 HD11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 mt -40.27 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.1 mt -39.68 -53.11 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -57.07 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.3 p -38.32 -61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.5 107.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -55.46 -35.08 65.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.04 129.28 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' THR . 7.3 mt -92.09 141.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.422 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -166.37 74.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.17 159.85 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.66 128.1 42.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.573 ' CG2' HG23 ' A' ' 19' ' ' VAL . 17.3 m -131.69 155.53 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.376 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.76 141.8 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' VAL . 5.7 ptp180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 1.8 mm -102.89 152.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.226 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 HD11 ' A' ' 59' ' ' LEU . 63.7 t -139.39 95.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 m -101.08 135.35 42.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -159.71 159.87 33.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 111.045 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 19.9 m-80 -115.11 164.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.693 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.3 pp -124.6 146.7 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.418 1.074 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -138.06 169.87 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 23.4 mm -92.4 149.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 56.8 m-85 -152.91 139.99 19.29 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.4 mm -50.41 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -66.66 -58.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -145.14 153.9 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 88.6 t -134.23 132.19 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.97 125.22 89.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 59.39 5.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 155.86 45.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -127.19 -170.66 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.24 -31.76 38.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -70.17 -41.06 74.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -52.1 -47.76 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -39.15 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.35 -30.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.12 31.29 2.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -88.09 143.1 27.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.743 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -146.46 139.19 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.91 107.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 -25.84 4.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 107.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.552 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 1.9 tt0 -67.68 131.19 45.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.735 HG13 ' SD ' ' A' ' 93' ' ' MET . 94.0 t -90.14 93.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 95' ' ' VAL . 2.9 mm? -55.99 -66.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.39 147.26 32.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' CB ' ' A' ' 93' ' ' MET . 69.0 t -119.55 114.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.2 m-80 59.69 42.79 16.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.43 -44.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.98 124.98 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -72.01 125.77 28.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -100.63 7.55 43.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.79 -9.86 56.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -165.93 76.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 12.4 tt -141.18 154.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.44 159.17 24.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 19.9 t-80 -72.76 -51.7 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -35.02 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -44.59 35.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.693 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -60.2 -24.41 64.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 33' ' ' ILE . 31.9 t -84.53 -63.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 84' ' ' ILE . 9.7 pt-20 -44.91 -48.84 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 12.2 mt -45.32 -56.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.77 -35.03 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' THR . 19.4 mttt -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' LYS . 6.8 t -36.66 -40.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ILE . . . -60.35 95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 5.2 ptp180 -45.44 -42.75 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.2 pt-20 -124.61 125.4 44.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 20' ' ' THR . 6.9 mt -84.44 150.62 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.37 60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 110.034 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.842 ' CB ' HG22 ' A' ' 68' ' ' VAL . 3.5 ptp -91.96 165.26 13.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.6 mtt180 -108.57 128.29 54.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.329 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' HA ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -124.65 174.07 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.55 155.45 41.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.584 ' NE ' HG23 ' A' ' 95' ' ' VAL . 2.4 ptt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 94' ' ' ARG . 3.2 mm -113.58 115.29 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.89 96.13 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -96.68 135.07 39.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 ' CA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -164.07 158.28 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 0.726 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.3 m-20 -109.05 139.58 43.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -106.33 132.89 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -129.79 170.59 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 33.0 mm -89.89 147.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 39.4 m-85 -149.45 161.3 42.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 59' ' ' LEU . 4.1 mm -76.19 97.63 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -58.44 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -146.01 152.9 40.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.8 t -129.87 132.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.15 125.03 89.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.09 56.07 4.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 161.0 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.1 p -125.79 -170.22 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.478 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.9 t70 -78.41 -38.92 40.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.08 -45.37 93.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -48.58 -44.63 36.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.54 -40.87 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -43.49 -31.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.37 29.79 2.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD12 ' HB1' ' A' ' 54' ' ' ALA . 15.4 mt -92.66 151.97 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -163.24 145.66 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.38 103.49 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.28 43.88 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.67 100.22 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.7 tt0 -65.93 128.81 37.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.33 107.76 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.2 mm? -67.69 -62.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.91 161.5 37.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' A' ' 93' ' ' MET . 73.0 t -135.82 105.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 14.1 m-80 61.33 52.32 3.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.0 t0 82.04 -52.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 109.245 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.79 134.45 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.95 154.76 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -126.2 12.39 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.47 -28.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 79.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 80' ' ' LYS . 9.1 tt -137.22 153.72 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.48 139.35 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 21.6 t-80 -54.29 -58.77 6.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -45.17 -40.9 7.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.694 ' HG2' HD11 ' A' ' 76' ' ' ILE . 5.1 tptt -62.97 -56.42 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.69 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -43.09 -49.36 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.872 HG23 HD11 ' A' ' 33' ' ' ILE . 97.1 t -63.0 -57.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -52.37 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ALA . 95.7 mt -47.84 -70.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.49 -44.57 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -61.98 -69.82 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 p -49.02 -22.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -87.31 102.46 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -38.42 39.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -121.57 125.03 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CG2' ' SD ' ' A' ' 93' ' ' MET . 60.0 mt -86.87 120.66 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.49 72.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.81 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.88 169.04 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.8 mtt180 -112.91 138.32 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.584 HG23 ' NE ' ' A' ' 17' ' ' ARG . 19.5 m -133.47 167.39 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -157.01 151.2 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 8.2 mm -102.12 136.62 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 59' ' ' LEU . 55.6 t -120.75 95.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -102.2 128.41 48.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -147.38 161.07 41.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 11.9 m-80 -108.99 128.68 55.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 82' ' ' VAL . 1.2 pp -100.31 138.18 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -137.26 175.19 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 42' ' ' GLY . 32.1 mm -122.78 139.18 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' SER . 46.8 m-85 -146.45 145.81 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.695 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.2 mm -61.34 85.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -48.68 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 164.21 33.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -131.04 133.98 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.11 123.6 85.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.11 55.08 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 160.61 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -130.5 -168.97 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.56 -27.67 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.1 -48.29 76.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -47.83 -42.97 27.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.622 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -40.53 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.65 -37.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.28 27.69 3.05 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 29.2 mt -84.04 151.35 25.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 0.698 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -142.84 137.91 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.62 103.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.07 0.79 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.22 112.42 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 130.49 43.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.799 HG13 ' SD ' ' A' ' 93' ' ' MET . 75.7 t -96.56 91.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.78 -67.3 0.3 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.6 139.52 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.767 HG21 ' CE2' ' A' ' 73' ' ' PHE . 81.3 t -107.96 112.36 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 42.5 m-20 60.7 41.2 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.6 t70 87.31 -42.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' VAL . 52.0 t -55.9 128.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.23 130.73 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' HG21 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -107.88 -8.13 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.63 -31.05 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -144.2 76.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 84' ' ' ILE . 2.5 tt -135.04 158.0 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.8 146.36 29.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 13.4 t-80 -52.48 -59.75 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -45.43 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -43.19 84.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -61.09 -45.47 94.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 33' ' ' ILE . 88.4 t -62.03 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.82 -60.36 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 18.7 mt -41.89 -68.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 81' ' ' ALA . 6.2 mt -40.86 -56.7 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ALA . 8.0 mttm -53.23 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.3 p -37.41 -32.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' LYS . . . -80.78 118.68 22.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 29.0 ptt-85 -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.1 pt-20 -111.37 125.68 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' THR . 12.2 mt -92.26 124.05 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -149.61 88.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.799 ' SD ' HG13 ' A' ' 65' ' ' VAL . 16.9 ptp -106.78 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 5.5 ttt180 -112.44 108.96 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 19' ' ' VAL . 22.5 m -111.45 158.34 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -154.91 139.82 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.578 HD13 ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -111.34 112.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.15 95.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.454 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.9 m -99.5 135.36 41.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 53' ' ' ASP . 2.1 mp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 22.0 p90 -168.34 160.73 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -117.53 146.94 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.842 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -104.78 156.55 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 7.4 ptt180 -159.46 173.02 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 35' ' ' GLY . 33.4 mm -84.16 126.07 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.58 0.812 . . . . 0.0 109.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 82.8 m-85 -125.74 152.51 45.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.596 ' CG2' HG23 ' A' ' 48' ' ' VAL . 4.9 mm -67.49 111.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -75.43 -57.97 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.65 146.39 30.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.596 HG23 ' CG2' ' A' ' 45' ' ' ILE . 24.3 t -128.55 131.56 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.79 126.06 91.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.0 Cg_endo -75.08 58.04 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 156.67 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.0 p -125.32 -171.41 2.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 110.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.1 m-20 -76.54 -30.7 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.866 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -71.44 -43.19 67.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -54.5 -44.51 72.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -46.09 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -44.71 -35.29 2.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.54 34.75 1.05 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.866 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.6 mt -94.45 137.44 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 0.839 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -143.27 138.15 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 113.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.59 -23.14 5.42 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.86 127.81 32.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.34 0.67 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 16.4 tt0 -85.46 149.53 25.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.708 HG13 ' SD ' ' A' ' 93' ' ' MET . 30.1 t -109.5 93.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 mt -55.61 -66.56 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.43 163.65 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 93' ' ' MET . 66.9 t -132.27 105.53 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 62.4 m-80 56.78 49.32 14.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.46 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.6 127.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.49 136.76 39.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 1.1 m-85 -109.63 -19.91 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -41.08 -33.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.16 79.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD11 ' A' ' 84' ' ' ILE . 3.8 tt -141.15 161.47 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -80.81 142.48 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 42.8 t-80 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -40.2 48.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.687 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -66.17 -54.05 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.842 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -49.1 -46.72 45.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.427 HG23 HD11 ' A' ' 33' ' ' ILE . 58.7 t -62.46 -62.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' THR . 0.0 OUTLIER -48.59 -53.86 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.687 HD11 ' HG2' ' A' ' 80' ' ' LYS . 37.5 mt -40.38 -60.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.78 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mppp? -43.15 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.4 p -41.05 -48.38 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 104.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -48.76 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -119.71 129.06 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' THR . 20.5 mt -83.59 124.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.454 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -147.56 73.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.851 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -99.79 161.61 13.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.7 ttp180 -107.65 113.93 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.505 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 32.7 m -111.99 166.09 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -155.2 129.39 8.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 5.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.3 mm -119.37 117.45 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 57' ' ' ALA . 42.3 t -94.71 100.3 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.599 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.7 m -98.14 128.34 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' ' 48' ' ' VAL . 15.2 p90 -167.94 159.71 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 17.6 m-20 -112.17 141.08 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -103.48 152.72 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -156.55 151.03 25.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.912 ' O ' HD13 ' A' ' 43' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.912 HD13 ' O ' ' A' ' 35' ' ' GLY . 18.4 mm -87.0 127.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 81.0 m-85 -137.11 128.84 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 59' ' ' LEU . 25.3 mm -45.63 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.5 -62.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.498 ' HE3' HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -146.14 153.27 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.229 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 31' ' ' PHE . 76.1 t -134.53 135.16 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.498 HD11 ' HE3' ' A' ' 47' ' ' LYS . 7.8 mm -66.31 126.94 92.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 56.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 156.43 46.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.0 p -125.36 -176.73 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.45 -30.75 63.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -70.71 -38.97 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -62.49 -29.51 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.679 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -85.72 -37.74 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -55.35 -31.18 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.63 26.27 3.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 13.0 mt -82.16 137.04 35.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.62 146.88 34.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.78 109.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.54 -24.5 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.08 97.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.6 tt0 -65.52 127.0 30.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 93' ' ' MET . 19.4 t -88.09 94.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.557 HD21 ' NE ' ' A' ' 96' ' ' ARG . 81.2 mt -55.54 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.13 161.22 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.755 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.9 t -134.26 107.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 31.5 m-20 51.87 53.52 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.5 t0 82.8 -51.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.2 t -53.98 120.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -76.91 131.77 38.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.964 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 1.3 m-30 -98.23 -4.33 35.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.3 -33.89 21.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -142.81 80.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 4.0 tt -144.57 157.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.78 151.72 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 9.2 t-80 -60.82 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 93.7 p -47.66 -23.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 78' ' ' HIS . 1.4 tptt -80.85 -50.58 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.964 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -61.39 -50.82 71.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 83' ' ' GLU . 7.4 p -54.98 -54.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.56 ' N ' HG13 ' A' ' 82' ' ' VAL . 23.1 mt-10 -54.62 -56.37 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.3 mt -38.35 -57.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.487 HD22 ' CG2' ' A' ' 91' ' ' ILE . 74.4 mt -49.37 -67.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' THR . 0.3 OUTLIER -47.32 -71.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -38.19 -56.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 132.14 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -42.61 75.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.06 127.51 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CG2' HD22 ' A' ' 85' ' ' LEU . 6.1 mt -90.73 126.07 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.599 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -145.44 77.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.755 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.9 163.08 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.2 ttt180 -107.15 125.77 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.0 m -121.27 158.58 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.557 ' NE ' HD21 ' A' ' 66' ' ' LEU . 26.6 ptt85 -158.3 151.56 23.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.8 p90 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -103.02 109.3 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.746 HG11 HD13 ' A' ' 59' ' ' LEU . 90.4 t -92.55 95.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.2 129.22 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD23 ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.05 157.25 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.426 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 29.8 m-80 -103.07 150.92 23.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.73 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -117.44 158.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 1.7 ptp180 -159.59 174.38 14.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.405 1.065 . . . . 0.0 111.017 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 43' ' ' ILE . 27.9 mm -81.65 136.27 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 70.9 m-85 -134.14 164.52 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.8 mm -80.86 87.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -52.45 -60.69 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 157.14 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 80.2 t -134.05 135.38 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.474 HG22 ' OD1' ' A' ' 51' ' ' ASP . 32.0 mm -66.83 128.9 94.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.95 55.12 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER 154.67 50.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 p -128.43 -177.03 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' CB ' HD23 ' A' ' 21' ' ' LEU . 3.8 m-20 -71.71 -32.3 67.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -54.5 24.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 1.2 t-160 -46.64 -35.26 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -39.5 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -51.07 -30.58 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.31 38.29 1.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.409 1.068 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.746 HD13 HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -95.79 144.12 26.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -146.65 133.61 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -46.01 115.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.98 54.08 0.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.83 108.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.8 tt0 -65.23 132.64 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 93' ' ' MET . 99.0 t -104.12 93.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.38 -67.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -129.71 170.03 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 93' ' ' MET . 2.5 t -141.27 107.33 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 81.22 -51.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.188 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.01 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.39 157.77 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.81 126.75 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -101.57 33.54 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -88.5 -15.89 34.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -164.06 72.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.479 HD11 ' HG2' ' A' ' 80' ' ' LYS . 6.5 tt -125.11 162.3 27.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.65 144.08 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.95 -64.51 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 -47.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -55.41 -54.6 41.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -51.9 -39.95 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 33' ' ' ILE . 4.8 t -72.51 -25.93 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.0 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -42.55 -57.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.6 mt -46.8 -62.63 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -45.43 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 p -39.16 -71.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.87 109.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 11.1 ptm180 -50.93 -39.17 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.4 pt-20 -121.11 125.9 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 mt -87.91 121.19 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -123.83 78.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.828 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -99.66 137.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.2 ttp180 -99.71 103.97 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 23.3 m -102.5 163.81 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 1.1 ttp180 -156.55 139.19 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 71.3 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.694 ' CG ' HG23 ' A' ' 95' ' ' VAL . 15.5 ptp180 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mm -120.17 125.92 74.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 59' ' ' LEU . 84.9 t -112.36 96.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -95.0 135.46 36.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 4.5 p90 -162.71 159.07 23.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 35.0 m-80 -114.77 147.91 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pp -111.91 150.41 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 3.8 ptt85 -150.35 171.04 17.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.92 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' ILE . 8.3 mm -84.73 139.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 86.4 m-85 -138.97 144.46 38.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.9 mm -63.65 89.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.57 -61.72 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -144.42 162.68 35.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.432 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 75.2 t -134.69 125.81 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.611 HG22 ' OD1' ' A' ' 51' ' ' ASP . 49.3 mm -65.94 125.88 90.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.611 ' OD1' HG22 ' A' ' 49' ' ' ILE . 5.7 p-10 166.71 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.4 p -128.14 -168.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.41 -35.88 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.927 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.83 -39.03 92.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 19.0 t-160 -55.59 -43.27 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.7 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 -33.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.49 23.38 4.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.927 HD12 ' HB1' ' A' ' 54' ' ' ALA . 11.3 mt -77.67 139.28 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -132.92 143.32 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.18 101.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.76 40.16 0.54 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.2 104.91 12.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 0.791 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.2 tt0 -65.35 129.81 41.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 93' ' ' MET . 57.8 t -95.77 100.22 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.5 mt -56.75 -64.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.79 161.61 35.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.4 t -134.32 105.26 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 29.4 m-80 57.59 52.49 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.8 t70 81.93 -53.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -54.18 125.62 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.35 145.53 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -114.52 -12.37 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.39 -26.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PHE . 35.7 t0 -147.25 71.39 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.8 tt -127.67 156.36 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -81.4 138.32 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.2 t-80 -44.67 -59.81 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.94 -49.88 38.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.385 1.053 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.737 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -47.8 -52.21 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 33' ' ' ILE . 51.8 t -55.94 -44.07 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -65.08 -61.75 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' GLU . 46.0 mt -40.54 -65.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -63.57 -74.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.6 p -38.42 -56.5 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.83 107.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -40.8 46.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -122.32 130.52 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.99 129.72 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 68.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.89 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.21 170.13 10.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -110.26 137.56 47.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.694 HG23 ' CG ' ' A' ' 17' ' ' ARG . 17.3 m -135.88 161.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -161.89 137.92 7.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.363 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -108.21 110.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.02 HG11 ' CD1' ' A' ' 59' ' ' LEU . 38.5 t -100.71 96.96 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 138.16 31.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 54' ' ' ALA . 1.8 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 7.8 p90 -158.35 159.84 36.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -108.6 151.37 26.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -118.45 143.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -146.86 176.76 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' ILE . 21.7 mm -91.1 133.81 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 22.9 m-85 -132.14 160.43 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 15.1 mm -71.94 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 159.34 43.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 67.3 t -133.96 130.82 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.5 127.14 93.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 55.38 3.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER 162.86 43.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 p -125.82 -175.41 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.82 -34.9 57.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.51 -38.02 86.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.73 -38.98 73.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.547 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -43.69 14.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.32 -36.04 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.55 38.42 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.02 ' CD1' HG11 ' A' ' 19' ' ' VAL . 4.3 mp -94.25 142.71 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -144.32 138.71 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.25 104.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.1 -40.07 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -48.13 139.32 8.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.578 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 4.8 tt0 -104.56 139.71 39.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 25.1 t -96.8 104.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.79 -63.03 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.49 157.95 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 83.7 t -136.85 109.98 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.4 33.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.93 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.2 t -112.17 136.76 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.78 115.23 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -101.91 -16.37 16.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -42.35 -27.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.9 m-20 -146.16 79.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 84' ' ' ILE . 3.2 tt -136.26 153.64 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -74.74 141.15 44.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -46.16 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.94 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -48.7 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -60.99 -43.9 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 33' ' ' ILE . 90.9 t -60.04 -49.04 85.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' THR . 1.6 mp0 -61.69 -59.17 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.211 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 76' ' ' ILE . 38.6 mt -41.29 -64.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.19 -48.91 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -60.59 -71.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.9 p -40.67 -63.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.83 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -39.19 -51.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.54 128.26 55.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.2 mt -83.66 127.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.35 73.8 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -98.11 160.34 14.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -108.91 113.99 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 64' ' ' GLN . 9.0 m -108.24 161.48 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 6.3 ttt180 -148.91 139.3 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.1 mm -109.57 107.95 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 59' ' ' LEU . 96.0 t -95.23 96.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -87.84 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' LEU . 3.1 tp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 43.6 p90 -146.72 162.63 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 0.806 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' SER . 40.3 m-80 -112.16 133.55 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 82' ' ' VAL . 1.9 pt -103.11 150.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -156.14 174.25 15.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.42 132.09 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 74.9 m-85 -135.55 150.29 49.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 11.1 mm -68.82 76.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -39.31 -61.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 160.45 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.424 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 54.3 t -127.63 135.31 63.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.76 127.68 93.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.08 55.6 4.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 5.7 m-20 155.42 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -134.28 172.84 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ALA . 9.6 m-20 -62.55 -31.07 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 59' ' ' LEU . . . -67.32 -29.78 69.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -78.22 -36.27 47.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.587 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.13 -15.84 39.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -82.4 -5.37 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 -5.45 76.05 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 HG11 ' A' ' 19' ' ' VAL . 5.3 tp -51.52 141.52 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -149.26 173.22 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.5 117.07 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.71 -29.16 5.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.9 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.6 tt0 -70.67 132.0 44.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t -88.17 98.4 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.67 -64.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.18 158.45 43.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.761 HG12 ' ND2' ' A' ' 69' ' ' ASN . 98.6 t -136.43 134.08 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.761 ' ND2' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER 40.83 39.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 3.3 m-20 85.95 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' VAL . 22.0 t -56.49 122.21 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.86 140.14 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 2.2 m-30 -109.81 3.52 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.55 -20.41 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -165.95 80.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 84' ' ' ILE . 13.0 tt -134.47 159.45 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.48 146.29 48.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.537 ' O ' HD11 ' A' ' 33' ' ' ILE . 27.2 t-80 -57.99 -50.29 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -49.83 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.621 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -55.77 -49.75 72.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -54.26 -38.46 65.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 33' ' ' ILE . 33.6 t -73.24 -41.82 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' THR . 1.5 mp0 -66.1 -61.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 76' ' ' ILE . 14.3 mt -40.32 -57.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 63.0 mt -47.18 -55.43 8.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' THR . 1.5 mttp -59.75 -69.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.7 p -38.35 -55.24 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' ARG . . . -55.92 99.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' ALA . 18.8 ptt180 -37.89 -47.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.65 126.17 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.17 124.04 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.65 76.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.756 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.06 162.96 12.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 mtp180 -113.43 115.64 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 7.0 m -110.53 162.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.85 130.16 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.415 HD11 ' NE ' ' A' ' 94' ' ' ARG . 3.4 mm -112.89 112.68 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.904 HG13 ' HB1' ' A' ' 57' ' ' ALA . 89.3 t -103.56 95.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.78 135.96 37.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HZ ' HD22 ' A' ' 85' ' ' LEU . 3.7 p90 -152.11 175.88 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -119.54 156.24 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.046 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -128.6 137.6 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 35.4 ptt180 -138.16 178.29 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -106.86 142.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 88.9 m-85 -144.37 154.04 42.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -71.23 78.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.451 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -46.14 -56.34 5.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.46 160.84 41.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 73.5 t -134.12 136.08 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.07 124.24 87.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.05 55.4 3.96 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER 160.03 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.087 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -127.59 -171.4 2.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -77.44 -35.83 53.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -64.47 -43.31 94.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 4.2 t-160 -55.57 -33.3 63.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.0 -42.0 12.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.904 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -46.74 -29.47 1.93 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.08 31.62 2.62 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.815 HD13 HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -86.64 142.8 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 0.804 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -146.41 140.37 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -49.38 105.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.18 -31.82 1.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.595 1.185 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.38 134.73 56.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.786 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 4.8 tt0 -107.27 137.73 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.629 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -87.98 111.44 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.74 -62.15 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -149.94 150.97 32.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.738 HG13 ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -134.26 131.64 55.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 61.7 m-80 48.22 30.18 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 78.9 34.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 84' ' ' ILE . 93.1 t -108.89 153.92 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -105.22 101.96 11.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.738 ' CE1' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -86.29 -26.16 25.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PHE . 34.0 mt-30 -38.47 -37.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.94 73.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 84' ' ' ILE . 2.2 tt -130.84 162.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' LYS . 12.9 mp0 -86.96 130.45 34.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 43.2 t-80 -39.41 -50.56 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -45.89 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -64.68 -45.64 85.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -54.3 -47.58 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 1.046 HG23 HD11 ' A' ' 33' ' ' ILE . 60.4 t -64.89 -29.5 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.53 -61.39 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.218 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 HG11 ' A' ' 71' ' ' VAL . 6.3 mt -40.17 -47.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mt -62.0 -68.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' THR . 16.6 mttt -42.04 -69.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 42.7 p -37.48 -71.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' LEU . . . -56.01 119.46 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 33.7 ptt-85 -56.36 -49.18 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 9.2 pt-20 -107.43 122.62 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.67 ' CG2' HD23 ' A' ' 85' ' ' LEU . 4.4 mt -91.38 106.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.32 71.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.629 ' HB2' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.1 157.47 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' NE ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -107.26 106.74 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 4.3 m -98.35 158.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -153.57 135.43 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.961 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.97 130.94 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 0.798 . . . . 0.0 109.916 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.34 149.41 51.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.85 -172.49 14.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -118.1 131.12 56.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 0.728 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -111.8 154.97 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.95 -121.41 2.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -161.99 129.78 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -153.63 143.87 22.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.53 84.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -139.92 74.78 1.48 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -71.29 119.49 15.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.34 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -147.41 -63.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -161.16 26.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -97.65 147.21 32.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' N ' HD12 ' A' ' 15' ' ' LEU . 18.7 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.704 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -92.28 167.49 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.457 HD12 ' HD2' ' A' ' 94' ' ' ARG . 2.5 mm -116.32 112.55 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.82 HG11 HD13 ' A' ' 59' ' ' LEU . 75.3 t -97.02 95.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -96.81 135.5 38.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.42 148.65 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 1.184 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 23' ' ' LYS . 7.5 ttmt -97.17 -34.79 10.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HE2' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER 57.3 112.11 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -74.96 168.95 23.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 102.3 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.535 1.808 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.45 26.3 5.17 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.48 1.113 . . . . 0.0 111.062 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.537 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -102.55 -179.09 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 0.712 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' GLY . 30.8 mt-30 -150.95 73.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER 59.8 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 114.01 17.26 7.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 28.3 p90 -169.1 161.7 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 0.745 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.0 m-20 -111.68 169.77 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.376 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -132.28 139.37 50.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -123.81 172.43 8.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.6 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 78.33 116.34 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.51 118.58 1.99 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.46 -57.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.51 -45.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.238 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -50.11 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 177.25 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.44 -158.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.7 162.7 28.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD13 ' O ' ' A' ' 35' ' ' GLY . 24.7 mm -98.86 110.64 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 37.2 m-85 -120.8 164.4 16.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.5 mm -71.97 90.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 1.1 p -56.0 -59.92 4.21 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' OG ' ' A' ' 46' ' ' SER . 28.4 ttpt -145.47 151.27 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.1 t -127.69 132.03 69.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.6 mm -66.04 128.0 93.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -74.97 56.17 4.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.6 m-20 157.64 49.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.7 p -131.23 -175.71 3.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -69.41 -39.99 77.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.51 -53.22 59.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -47.84 -33.65 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.574 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.8 -41.77 14.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.52 6.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.78 32.62 4.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.059 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.82 HD13 HG11 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -81.14 144.31 31.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 0.738 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -145.72 133.38 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -46.46 99.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.5 -34.12 1.52 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.5 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -65.37 142.48 58.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 12.2 t -100.24 97.88 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.0 mt -59.57 -64.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.226 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.37 156.69 47.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.0 t -129.52 113.14 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 11.9 m-80 57.93 48.05 14.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 12.2 t0 83.47 -50.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.6 t -53.64 131.28 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.03 144.19 38.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -116.1 29.37 8.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.42 -31.82 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -140.31 74.53 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.494 HD11 ' HD2' ' A' ' 80' ' ' LYS . 9.7 tt -139.97 156.02 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -71.37 155.12 41.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 22.1 t-80 -63.41 -49.64 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -42.5 73.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -61.51 -46.42 90.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.704 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -59.33 -38.08 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.706 HG23 HD11 ' A' ' 33' ' ' ILE . 54.2 t -74.32 -44.13 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 87' ' ' THR . 2.2 mt-10 -62.69 -59.93 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.6 mt -40.92 -67.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.0 mt -41.0 -57.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' THR . 23.1 mttt -53.43 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' GLU . 67.4 p -37.79 -61.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.68 113.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.78 -47.1 74.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.95 128.39 54.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.2 mt -86.93 131.27 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 72.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.912 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.02 164.01 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -102.89 118.65 37.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.704 HG23 ' CG ' ' A' ' 17' ' ' ARG . 10.0 m -117.34 162.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 97' ' ' PHE . 0.4 OUTLIER -159.39 154.79 25.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.224 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 12.9 p90 -57.73 121.93 11.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.494 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 71.5 t80 -118.78 47.4 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 t -161.16 128.08 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.97 175.45 54.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.69 5.28 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t 52.97 95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.8 p -56.01 168.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -165.74 108.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.933 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.07 146.13 7.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.032 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.28 110.63 3.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -163.35 131.91 3.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -140.98 167.89 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 82.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -127.99 123.58 35.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -163.91 144.67 8.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -97.04 77.76 2.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.3 mt -136.78 68.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -85.6 128.34 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.427 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -157.5 -45.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.57 34.81 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -109.54 145.97 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.619 ' O ' HD12 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.03 134.73 18.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.431 1.753 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.74 158.5 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.4 mm -116.37 115.72 49.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.6 t -92.4 95.96 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.852 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -95.19 133.02 39.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -131.14 152.29 50.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.61 1.194 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -123.09 104.71 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' NZ ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.63 114.64 49.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.9 168.51 24.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 99.33 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.487 1.783 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 28.98 3.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.156 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.37 -169.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.237 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mt-30 -144.27 162.96 35.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -39.47 -80.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.16 6.47 13.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -163.1 156.79 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.404 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 33.4 m-20 -107.72 143.81 35.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pp -107.92 147.39 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -139.99 177.95 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.76 -169.66 30.07 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.55 86.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -92.04 -57.78 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' SER . . . -155.46 -65.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ALA . 28.6 t -38.4 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -148.15 -70.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 41.7 -161.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.46 173.41 23.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.166 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 mm -101.65 139.53 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -145.24 161.08 40.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 59' ' ' LEU . 5.1 mm -71.87 102.72 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -64.9 -58.68 5.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.907 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 154.38 41.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 76.2 t -132.34 138.35 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' CG2' ' OD1' ' A' ' 51' ' ' ASP . 32.5 mm -66.35 124.87 89.23 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.95 56.65 4.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 155.66 45.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.1 p -127.35 -172.89 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.568 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 m-20 -77.67 -34.36 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.871 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.4 -47.94 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -53.03 -41.41 64.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.594 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -77.69 -43.94 29.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.679 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -45.45 -29.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.29 25.59 4.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.2 mt -82.69 143.6 30.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -142.76 146.72 34.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -63.17 103.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.11 35.87 0.91 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.145 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -108.36 118.73 37.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' VAL . 1.9 tt0 -70.91 127.44 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.694 HG13 ' SD ' ' A' ' 93' ' ' MET . 60.1 t -97.04 98.19 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.44 -65.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.078 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 154.37 49.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 93' ' ' MET . 32.7 t -126.24 119.8 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.44 HD21 ' HB1' ' A' ' 88' ' ' ALA . 8.8 m-80 59.63 28.22 17.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER 77.87 23.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.65 122.87 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.55 111.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -97.74 -24.65 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -40.5 -28.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 73' ' ' PHE . 77.4 m-20 -138.33 73.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 tt -136.36 162.25 35.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -89.66 140.79 29.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.89 -59.52 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.546 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.14 -47.89 23.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -46.32 90.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.696 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -55.41 -53.01 61.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.842 HG23 HD11 ' A' ' 33' ' ' ILE . 43.1 t -54.85 -49.3 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.1 mt-10 -58.81 -62.52 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 79.0 mt -39.95 -61.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.61 -61.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -47.82 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 87' ' ' THR . 67.4 p -38.55 -63.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB1' HD21 ' A' ' 69' ' ' ASN . . . -42.85 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 0.8 OUTLIER -52.77 -38.78 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 6.4 pt-20 -123.31 126.96 47.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' HZ2' ' A' ' 23' ' ' LYS . 22.7 mt -86.41 124.47 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.852 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -146.21 70.8 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.786 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -98.07 167.07 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 ttt180 -111.75 119.11 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.474 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 34.9 m -115.88 166.6 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.204 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 130.44 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.529 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 40.8 p90 -48.63 115.46 1.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -109.04 60.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.7 t 179.92 -36.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.81 -145.6 16.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 170.95 19.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 p -157.86 128.41 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 168.46 12.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.414 1.071 . . . . 0.0 110.931 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.33 113.66 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.733 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -77.49 167.8 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.35 -104.99 2.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 58.38 105.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -74.08 134.11 42.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.81 133.57 11.89 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -133.59 149.0 51.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 0.747 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -128.96 156.15 44.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.27 75.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.5 mt -146.26 75.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -149.46 104.7 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -155.06 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -156.07 50.32 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 158.08 0.5 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.56 1.821 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.63 152.08 43.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.1 mm -108.98 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 59' ' ' LEU . 14.5 t -92.25 96.99 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ILE . 6.2 m -96.57 139.8 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 54' ' ' ALA . 5.3 mp -108.8 155.99 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' LYS . 33.7 mmtt -95.59 -38.58 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.36 110.53 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -75.0 169.68 22.1 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.422 1.748 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 106.32 2.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.066 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.0 6.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -97.81 -171.81 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' GLY . 7.7 mt-30 -154.78 69.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER 61.02 -81.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 114.98 12.27 10.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 17.4 p90 -163.07 160.77 24.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.543 0.79 . . . . 0.0 110.971 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -103.87 156.89 17.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.358 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.908 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -124.36 131.69 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -124.57 174.75 7.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' ILE . . . 84.45 144.57 6.57 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.63 140.74 8.11 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -166.24 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.91 -60.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.28 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.7 t -47.49 -84.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.063 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 -62.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.97 -156.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.49 160.47 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 35.3 mm -91.11 133.89 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -136.6 155.94 49.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.1 mm -69.25 90.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -58.88 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.35 158.58 43.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 95.4 t -133.91 131.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.232 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -67.06 126.37 92.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.511 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.01 54.76 3.74 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER 163.71 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.8 p -126.0 -171.49 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.96 -39.85 49.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -61.18 -43.6 98.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.511 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 6.7 t-160 -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -89.4 -34.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 -18.74 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.21 29.81 6.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -82.44 143.39 31.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.353 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -145.8 137.3 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.17 100.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.58 44.92 0.17 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.91 107.8 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.67 126.52 29.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -91.38 100.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -62.91 -64.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -133.01 167.95 19.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 3.7 t -141.28 126.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 15.5 m-80 44.52 48.06 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.9 t0 82.51 -51.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.28 134.67 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.08 145.24 40.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -117.3 -8.7 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -49.58 -23.87 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -149.65 68.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.548 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.8 tt -128.15 156.5 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.6 143.82 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 17.1 t-80 -51.74 -57.36 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -40.87 71.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -43.85 98.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -64.47 -37.56 87.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.908 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -66.82 -45.46 87.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' HG23 ' A' ' 87' ' ' THR . 0.5 OUTLIER -63.38 -62.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 1.063 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 ' CD1' HD11 ' A' ' 76' ' ' ILE . 30.8 mt -40.99 -67.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.1 mt -40.99 -66.6 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -44.39 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -37.89 -59.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.78 108.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 9.9 ptp180 -52.33 -39.08 60.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 10.1 pt-20 -121.73 125.97 47.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 20' ' ' THR . 7.3 mt -83.46 140.48 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 8.8 t -148.15 77.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.05 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -108.33 148.24 30.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.6 ttt180 -103.6 108.99 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 m -100.24 163.28 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' PHE . 6.6 ttp180 -158.5 136.72 10.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -45.92 94.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 71.6 t80 -86.42 61.15 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.3 t -173.98 110.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.59 -144.51 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 87.32 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.84 104.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.1 t -72.33 103.44 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 p -175.81 139.92 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.038 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -172.75 160.59 4.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.44 152.09 19.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -158.51 107.79 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.2 165.19 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.04 143.26 3.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 62.1 110.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -129.2 -63.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.49 55.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.36 50.9 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.1 m -59.16 150.76 24.43 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.567 1.167 . . . . 0.0 110.366 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -178.02 -36.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -157.96 33.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -92.18 157.49 40.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.92 6.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.574 1.828 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -140.77 154.53 46.32 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.18 135.58 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 59' ' ' LEU . 15.0 t -121.44 96.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -94.25 127.69 40.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.454 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -110.45 168.44 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -110.63 -50.65 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.621 ' HE3' HD11 ' A' ' 91' ' ' ILE . 3.9 ttpp 60.97 118.31 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.0 26.19 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -90.69 164.37 14.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 109.226 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.7 pt20 -116.23 56.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.89 HD12 ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 63.55 -78.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.607 1.192 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 122.7 4.16 8.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.89 ' CE2' HD12 ' A' ' 29' ' ' LEU . 41.2 p90 -164.06 167.21 20.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -119.08 146.35 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.885 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.4 pt -104.87 155.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 6.5 ptt180 -154.67 159.9 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.799 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 72.47 155.74 2.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.396 1.06 . . . . 0.0 111.071 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 144.15 56.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.02 166.87 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.17 69.68 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.79 45.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.588 1.18 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 60.47 58.19 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.91 -158.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.55 -159.76 31.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.799 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.9 mm -87.86 137.53 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 32.5 m-85 -141.4 150.08 41.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.571 ' CG2' HG23 ' A' ' 48' ' ' VAL . 9.2 mm -62.89 94.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -60.81 -58.62 7.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -145.7 151.77 38.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.571 HG23 ' CG2' ' A' ' 45' ' ' ILE . 59.2 t -130.94 134.15 62.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -65.97 124.14 86.91 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.394 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.97 58.75 4.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.8 m-20 156.07 45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -127.4 -171.57 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HB2' HD23 ' A' ' 21' ' ' LEU . 4.8 m-20 -76.77 -32.4 57.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.652 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -67.7 -46.83 71.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 t-160 -53.25 -26.11 16.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.54 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -98.73 -32.09 11.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -57.7 -20.86 37.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.62 34.15 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.729 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -91.34 144.2 25.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.43 139.89 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.77 104.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.15 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.86 111.95 22.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.2 tt0 -67.13 125.09 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.691 HG13 ' SD ' ' A' ' 93' ' ' MET . 24.2 t -94.66 95.17 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.8 mt -53.65 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.69 165.8 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 93' ' ' MET . 50.6 t -137.64 108.16 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 43.9 m-80 58.69 47.0 13.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.2 t0 83.93 -50.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.9 t -54.08 122.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -72.53 130.4 40.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.664 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -97.25 -9.91 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -47.17 -26.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -150.41 82.8 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 84' ' ' ILE . 2.9 tt -143.31 161.71 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.367 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.51 147.27 30.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.556 ' O ' HD11 ' A' ' 33' ' ' ILE . 21.1 t-80 -55.33 -61.98 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -39.31 55.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -50.45 67.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.885 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.96 -42.22 75.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.408 1.067 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.455 HG23 HD11 ' A' ' 33' ' ' ILE . 13.9 t -65.91 -47.94 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 87' ' ' THR . 0.8 OUTLIER -61.53 -56.58 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 76' ' ' ILE . 94.0 mt -41.12 -57.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 25.4 mt -48.99 -63.28 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.637 ' HG3' HD22 ' A' ' 29' ' ' LEU . 21.1 mttt -51.53 -69.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' GLU . 39.1 p -38.7 -42.54 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.99 106.71 3.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 5.5 ptp180 -45.34 -50.56 12.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 4.4 pt-20 -118.05 129.69 55.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.621 HD11 ' HE3' ' A' ' 23' ' ' LYS . 5.2 mt -83.31 149.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 63.94 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.778 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.7 ptp -94.56 160.54 14.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -109.94 112.31 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 33.3 m -109.39 173.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -162.64 153.34 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -70.01 86.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -90.58 64.87 5.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.7 t -176.76 85.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.43 157.0 22.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.05 7.48 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.559 1.82 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.94 132.54 42.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.35 164.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 110.962 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.31 86.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -177.15 170.16 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.35 114.49 0.63 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.08 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -171.62 153.48 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.076 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.26 -162.35 0.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.414 1.071 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.49 -63.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.15 -54.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 62.38 93.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -112.77 49.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -85.74 156.78 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.573 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 9.5 tp60 -164.52 -45.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 13' ' ' GLN . 0.4 OUTLIER -138.88 15.07 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.45 155.82 90.07 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.12 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.432 1.754 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.594 HH11 HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.83 155.36 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mm -108.52 109.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG13 ' HB1' ' A' ' 57' ' ' ALA . 51.6 t -92.69 97.47 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.8 m -94.66 133.56 38.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 57' ' ' ALA . 5.9 mp -123.51 169.23 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -110.76 2.29 18.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.782 ' HG2' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -34.99 122.42 0.58 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.617 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.92 173.89 13.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.9 -19.15 18.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.536 1.808 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.41 34.14 6.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -110.53 154.63 23.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -98.25 14.84 26.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER 65.24 136.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' C ' HG12 ' A' ' 49' ' ' ILE . . . -87.56 19.91 30.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 25.9 p90 -166.93 163.28 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.783 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -117.44 157.28 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.903 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.2 pt -113.3 152.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -149.08 159.1 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 168.7 42.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.51 142.24 12.71 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.68 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 9.6 mttt -165.66 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 37' ' ' LYS . . . 164.32 -45.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 40' ' ' GLN . 33.2 t -39.24 -71.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' SER . 88.6 mt-30 -157.22 -43.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.84 159.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.76 -151.69 6.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' CD2' ' A' ' 73' ' ' PHE . 33.0 mm -100.61 146.47 9.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 88.2 m-85 -149.97 140.39 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.3 mm -56.81 104.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -62.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -141.13 146.31 36.87 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.595 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 65.4 t -130.69 129.52 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.426 HG12 ' C ' ' A' ' 30' ' ' GLY . 5.7 mm -65.88 130.33 94.43 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.49 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -74.94 53.51 3.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 163.57 42.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -179.26 3.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.21 -36.54 71.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.96 -44.91 79.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 8.6 t-160 -54.69 -30.24 55.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -91.91 -29.69 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.66 -31.74 72.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.09 34.41 1.14 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 54' ' ' ALA . 1.6 mp -91.02 140.71 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -148.59 138.85 22.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -49.49 103.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.0 -18.9 3.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -67.16 116.03 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 11.5 tt0 -77.27 147.2 36.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 ' SD ' ' A' ' 93' ' ' MET . 21.7 t -107.53 98.19 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.88 -65.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.99 159.36 41.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.901 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.8 t -135.68 107.05 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 54.9 m-80 58.95 51.9 6.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.0 t0 81.84 -52.98 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.602 1.189 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.08 126.41 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.69 152.67 43.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.625 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -124.89 23.52 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -28.92 31.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 1.5 p-10 -149.74 85.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 ' HG2' ' A' ' 80' ' ' LYS . 11.5 tt -149.65 157.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.96 145.63 54.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.596 ' O ' HD11 ' A' ' 33' ' ' ILE . 3.7 t-80 -61.15 -50.76 71.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.202 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.56 -33.36 66.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.744 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -68.49 -52.58 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.903 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -48.98 -45.74 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 33' ' ' ILE . 49.6 t -61.7 -63.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.71 -50.9 31.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.5 mt -43.51 -54.32 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -55.88 -53.64 54.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -52.31 -61.53 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.2 p -57.33 -21.92 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.363 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.9 93.68 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.364 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.36 -39.7 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.02 125.63 44.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 mt -83.89 141.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.63 61.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.901 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.8 ptp -91.85 161.31 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 2.1 ttp180 -112.9 110.25 20.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG23 HH11 ' A' ' 17' ' ' ARG . 34.7 m -105.25 165.85 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -163.81 127.36 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -38.25 120.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -129.68 52.35 2.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.6 m 47.35 95.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.945 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -110.86 154.29 16.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 -176.84 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.71 -59.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.5 4.53 9.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.52 142.57 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -73.49 86.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 110.65 1.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -147.47 136.84 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 0.717 . . . . 0.0 109.933 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -65.2 110.16 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.07 . . . . 0.0 109.951 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.76 -64.8 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.549 1.156 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.7 128.96 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -145.22 -55.49 0.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -160.8 116.81 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -145.86 76.66 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -68.14 112.32 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 16.6 pt20 -162.03 -43.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CD2' ' O ' ' A' ' 13' ' ' GLN . 13.4 m-85 -158.43 47.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.9 mt -108.69 143.17 26.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.98 156.85 43.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 5.3 ptp180 -80.72 166.41 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 94' ' ' ARG . 1.2 mm -110.14 144.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.862 HG11 ' CD1' ' A' ' 59' ' ' LEU . 26.5 t -135.7 95.88 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.543 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.0 OUTLIER -86.29 128.73 34.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.812 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -112.52 169.02 9.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -124.95 112.24 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.973 ' HE2' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.74 111.73 41.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.96 173.52 14.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 127.98 11.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.23 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -109.01 -172.51 2.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.01 147.53 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.973 HD12 ' HE2' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -48.14 -82.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.88 -0.08 7.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' CE2' HD23 ' A' ' 29' ' ' LEU . 22.6 p90 -150.16 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -114.03 136.91 52.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.749 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -105.96 152.06 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -148.7 174.38 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.747 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 62.18 145.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.83 69.29 0.1 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.33 -172.17 4.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -65.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LEU . 3.6 p -43.69 122.85 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -45.02 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -146.14 -158.08 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . -168.89 -172.41 35.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 35' ' ' GLY . 13.3 mm -93.13 122.08 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 49.1 m-85 -133.19 146.4 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.3 mm -60.48 85.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -50.5 -59.82 3.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.92 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 74.7 t -132.94 133.44 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.7 128.05 93.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.06 56.49 4.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.6 m-20 154.97 50.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.6 p -133.75 -176.36 4.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.512 ' HB2' HD23 ' A' ' 21' ' ' LEU . 1.3 m-20 -68.47 -37.57 80.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -61.89 -52.09 65.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -48.52 -27.96 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -95.78 -31.1 13.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -59.44 -22.51 61.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.12 18.39 17.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.862 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -68.25 142.28 55.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.241 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -141.94 130.49 22.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -47.25 105.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.54 2.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.606 1.191 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -52.14 102.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.3 tt0 -66.31 126.41 28.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' HA ' HG12 ' A' ' 95' ' ' VAL . 40.1 t -84.44 88.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 95' ' ' VAL . 4.1 mm? -49.32 -67.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.65 158.97 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.714 HG22 ' HB3' ' A' ' 93' ' ' MET . 86.9 t -125.71 122.88 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 2.7 m-80 54.72 29.42 11.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 78.22 27.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 68' ' ' VAL . 21.6 t -113.63 121.48 65.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 72' ' ' ASP . 2.5 p30 -57.46 114.48 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -103.48 -15.53 15.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -41.88 -28.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.1 t0 -150.76 93.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 80' ' ' LYS . 11.0 tt -150.83 158.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.44 133.96 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.242 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 38.5 t-80 -43.75 -56.69 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.36 -53.91 15.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.936 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.16 -54.93 17.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -47.17 -51.16 19.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.404 HG23 HD11 ' A' ' 33' ' ' ILE . 49.0 t -62.88 -57.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.612 1.195 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -47.97 -58.45 4.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' ALA . 10.8 mt -41.0 -67.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.98 -54.75 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -52.58 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.387 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.0 p -52.05 -20.49 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -88.02 107.55 18.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 2.8 ptp180 -50.37 -51.11 48.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.28 126.78 55.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' THR . 57.7 mt -89.93 123.61 42.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -145.58 68.11 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.714 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.34 163.92 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.495 ' HG3' HD13 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -108.24 133.82 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.508 ' HA ' HD23 ' A' ' 66' ' ' LEU . 29.7 m -128.13 172.97 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.97 144.95 26.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -55.31 93.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -88.26 65.26 7.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.31 -81.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.028 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.45 -147.57 18.98 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.4 1.062 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 172.7 15.84 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.456 1.766 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -134.61 -55.47 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -138.83 114.64 9.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.552 1.157 . . . . 0.0 111.042 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.64 119.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.394 0.702 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -111.93 153.6 26.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.976 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.93 119.67 3.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.58 132.93 38.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.98 118.37 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.99 -108.31 0.34 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.47 136.75 58.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -148.89 -58.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -160.15 88.45 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.1 pt? -147.75 79.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.5 p -122.92 174.59 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -172.86 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -151.86 29.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.32 156.76 45.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -130.96 159.14 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.211 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.614 HD13 ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -111.93 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 59' ' ' LEU . 99.5 t -92.67 96.19 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' ILE . 1.9 m -98.35 134.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 54' ' ' ALA . 3.2 mp -113.09 150.06 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.5 mmtt -95.16 3.29 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.696 ' CE ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -38.21 116.61 0.9 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -74.98 160.93 39.64 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 56.22 4.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.12 40.39 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -136.99 -163.24 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -111.66 129.18 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.606 1.191 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD12 ' CE ' ' A' ' 23' ' ' LYS . 1.5 tp -43.72 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.27 10.2 8.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.579 1.175 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 36.3 p90 -163.28 153.2 15.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' LYS . 31.3 m-20 -106.22 164.1 12.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -128.13 138.77 53.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' GLY . 27.0 ptt85 -127.85 162.03 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 57.82 155.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.2 -43.54 1.25 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -40.26 -70.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.18 -143.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.9 t 47.62 42.93 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.518 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 19.6 mt-30 48.93 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.413 1.071 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -174.28 150.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.99 -131.87 5.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.551 HG13 ' CD2' ' A' ' 73' ' ' PHE . 29.0 mm -128.21 110.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 94.2 m-85 -118.47 150.39 39.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.8 mm -68.14 91.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -56.91 -62.48 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.049 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -146.87 135.93 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 142.93 38.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 49' ' ' ILE . 5.6 mm -66.15 120.86 73.12 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CG ' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.07 51.83 2.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 22.8 t0 173.2 39.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 p -132.69 171.75 13.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.87 -40.72 61.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -60.48 -71.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 50' ' ' PRO . 9.1 t-80 -42.61 -48.35 5.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 0.0 109.584 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -38.34 85.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -57.62 -21.04 37.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.14 27.44 3.43 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' A' ' 54' ' ' ALA . 3.1 mp -79.28 141.37 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -150.93 134.03 16.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.71 100.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.63 41.1 0.5 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -116.81 103.86 10.75 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.567 0.804 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 5.1 tt0 -65.41 139.56 58.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 68' ' ' VAL . 94.5 t -103.34 88.65 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.77 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 156.81 47.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.867 HG22 ' HB3' ' A' ' 93' ' ' MET . 40.3 t -125.89 108.02 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 45.8 m-80 60.3 45.72 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.7 t0 85.2 -47.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.91 128.37 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -73.94 138.68 44.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -112.9 -7.41 13.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.75 -25.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -148.67 78.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.467 HD11 ' HG2' ' A' ' 80' ' ' LYS . 3.5 tt -133.88 160.08 42.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.01 145.13 30.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.0 t-80 -52.05 -64.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.33 -40.53 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.73 -51.85 67.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.827 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -55.06 -49.98 70.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.462 HG23 HD11 ' A' ' 33' ' ' ILE . 75.7 t -58.7 -49.45 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ILE . 3.5 mt-10 -60.06 -60.31 4.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 58.7 mt -40.4 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 29' ' ' LEU . 12.3 mt -43.08 -49.45 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -62.16 -72.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -39.61 -57.79 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.43 108.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.63 -34.57 71.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -125.72 129.97 50.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 20' ' ' THR . 17.6 mt -95.47 139.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.85 68.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.867 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -94.5 168.0 11.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.063 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.614 ' HG3' HD13 ' A' ' 18' ' ' ILE . 4.7 mtt180 -112.16 108.0 17.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 35.2 m -106.05 169.11 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.4 ' HG2' ' CD1' ' A' ' 97' ' ' PHE . 15.0 ttt180 -164.12 137.83 5.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 19.3 p90 -43.9 120.89 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -141.76 55.73 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 92.0 p -176.65 138.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.47 163.03 14.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.13 11.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.1 m -112.91 139.41 48.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.87 142.59 17.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.94 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.558 1.161 . . . . 0.0 110.976 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -130.62 -92.01 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 109.941 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t 74.12 -177.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.85 98.08 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.68 154.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -151.84 137.26 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.73 57.75 17.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -160.95 -45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.725 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -101.56 158.95 15.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.23 30.24 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -97.82 35.39 1.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -68.41 137.66 54.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.55 -59.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.91 26.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.5 mt -56.83 156.17 13.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -167.58 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 152.89 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mm -108.2 112.01 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 59' ' ' LEU . 59.2 t -94.68 103.45 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.863 HG23 ' OG ' ' A' ' 92' ' ' SER . 0.8 OUTLIER -94.73 127.05 40.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.37 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.85 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -111.71 173.54 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.9 tttm -108.37 -74.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' NZ ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER 59.63 119.86 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 173.55 14.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 132.02 14.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.91 33.03 86.15 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -113.02 175.62 5.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LEU . 28.9 pt20 -87.25 132.34 33.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.825 HD21 HD13 ' A' ' 85' ' ' LEU . 2.0 tp -39.25 -64.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.404 1.065 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.04 -4.27 8.39 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' HD23 ' A' ' 29' ' ' LEU . 4.9 p90 -151.58 158.89 44.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.594 0.82 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.418 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 68.4 m-20 -108.89 142.26 39.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -109.25 156.99 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -156.24 176.43 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.34 -129.79 9.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 37' ' ' LYS . . . 75.65 84.26 0.39 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 3.1 mtmt -177.85 -169.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.37 -143.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 t 47.23 36.61 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 64.93 77.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD12 ' H ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -146.95 -152.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' H ' HD12 ' A' ' 41' ' ' LEU . . . 143.8 -157.38 27.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 73' ' ' PHE . 21.2 mm -89.86 123.91 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 27.2 m-85 -126.9 147.86 50.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.2 80.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -45.7 -62.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.4 160.65 41.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.24 137.46 56.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.55 HG22 ' OD1' ' A' ' 51' ' ' ASP . 29.1 mm -67.81 125.85 91.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.03 57.36 4.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.575 1.829 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' OD1' HG22 ' A' ' 49' ' ' ILE . 1.0 OUTLIER 154.26 48.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p -138.31 171.9 13.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ALA . 23.7 m-20 -63.66 -28.03 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.85 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -68.64 -23.95 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.384 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.508 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -86.24 -24.04 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 109.634 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -96.07 -23.55 16.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 56' ' ' ARG . . . -62.83 -46.41 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.25 44.65 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -102.29 141.69 34.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -137.35 134.63 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -49.09 103.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.51 -20.11 3.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -65.85 130.1 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 3.6 tt0 -96.81 133.29 41.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 t -89.18 105.24 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.59 -63.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.41 156.7 47.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.872 HG22 ' HB3' ' A' ' 93' ' ' MET . 39.4 t -132.97 105.68 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 27.2 m-80 58.89 49.57 9.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 5.2 t70 83.06 -50.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 99.4 t -53.93 134.98 16.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.547 1.154 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.97 151.79 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -130.86 27.92 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.02 -22.99 36.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -157.2 91.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 84' ' ' ILE . 16.3 tt -148.49 159.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -74.43 132.84 42.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.497 ' O ' HD11 ' A' ' 33' ' ' ILE . 23.6 t-80 -41.82 -60.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.83 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -50.11 -54.94 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -46.81 -50.32 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.578 HG23 HD11 ' A' ' 33' ' ' ILE . 53.6 t -61.45 -48.27 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -57.04 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 HD11 ' A' ' 76' ' ' ILE . 91.8 mt -43.17 -65.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.825 HD13 HD21 ' A' ' 29' ' ' LEU . 6.5 mt -42.59 -46.0 4.78 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.81 -66.36 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.4 p -48.06 -23.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.52 102.31 13.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -43.89 -50.86 7.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -114.77 126.83 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.45 HD11 ' HE2' ' A' ' 23' ' ' LYS . 12.8 mt -84.63 125.07 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.863 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -147.99 77.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.872 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -100.11 170.36 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -117.32 121.06 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.534 HG22 HG23 ' A' ' 19' ' ' VAL . 18.7 m -114.49 166.8 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -164.3 128.28 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.3 115.78 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -113.7 61.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -168.29 126.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.17 -179.95 49.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.443 1.089 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -29.05 8.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.26 163.62 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.4 p -170.93 134.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.428 1.08 . . . . 0.0 111.042 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -179.94 133.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.042 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -176.24 152.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.52 179.74 42.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.7 162.57 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -160.7 110.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.34 117.49 2.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.411 1.07 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 63.63 133.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.2 154.61 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -119.8 -145.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt 47.75 65.66 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -101.4 148.86 24.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 7.6 pm0 -178.99 -33.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 6.1 m-85 -160.62 37.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -110.16 143.96 29.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' O ' HD12 ' A' ' 15' ' ' LEU . 18.5 Cg_endo -74.85 137.29 21.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.798 . . . . 0.0 111.061 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HG23 ' A' ' 95' ' ' VAL . 5.5 ptp180 -102.97 166.13 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.0 mm -116.59 135.22 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG11 ' CD1' ' A' ' 59' ' ' LEU . 74.9 t -116.68 95.85 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.621 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -98.1 129.38 44.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 20' ' ' THR . 6.0 mp -126.08 174.13 8.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' LYS . 14.7 tttt -101.22 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' NZ ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER 60.4 121.78 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.371 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -74.94 165.58 31.05 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.474 1.776 . . . . 0.0 111.045 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 103.65 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.91 20.27 7.29 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -84.73 160.04 20.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -97.43 23.65 7.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.266 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER 65.93 139.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 11.77 53.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HE1' HD13 ' A' ' 85' ' ' LEU . 5.0 p90 -160.38 162.97 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' SER . 27.1 m-20 -112.57 144.37 42.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.743 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -112.2 145.94 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 10.9 ptt180 -151.43 173.85 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 57.46 157.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.11 101.76 1.26 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -164.26 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -171.74 33.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -126.98 52.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.0 OUTLIER 38.14 40.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.92 -178.4 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.2 -156.95 7.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 35' ' ' GLY . 47.9 mm -98.47 140.14 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 30.1 m-85 -143.58 150.61 39.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.536 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.7 mm -66.2 81.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -44.94 -56.9 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.955 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 161.49 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.536 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 53.2 t -133.55 136.4 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 mm -66.09 124.17 87.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.0 56.25 4.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER 158.88 44.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.8 p -127.81 -173.53 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 25.7 m-20 -76.12 -34.59 59.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -65.37 -38.84 91.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -61.03 -28.61 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -93.66 -38.78 11.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.53 -29.29 10.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.4 23.08 5.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.7 mt -78.19 138.8 38.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 0.75 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.98 149.25 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.78 112.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.52 -2.12 8.15 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD2' HD23 ' A' ' 59' ' ' LEU . 2.5 m-20 -77.03 105.01 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.564 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.8 tt0 -70.68 132.46 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.74 HG22 ' SD ' ' A' ' 93' ' ' MET . 77.5 t -95.27 102.49 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.63 -64.22 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.8 163.02 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 93' ' ' MET . 63.7 t -137.53 105.51 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 20.9 m-80 56.8 53.13 8.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.0 t0 82.17 -52.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -53.78 125.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.4 136.26 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CE2' HG21 ' A' ' 68' ' ' VAL . 1.3 m-85 -102.97 -7.43 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -47.81 -26.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.43 71.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 84' ' ' ILE . 4.2 tt -131.58 156.57 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.48 146.29 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 33' ' ' ILE . 43.8 t-80 -54.28 -55.55 27.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.47 -34.09 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.597 1.186 . . . . 0.0 110.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -47.21 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -57.12 -49.0 77.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 33' ' ' ILE . 39.6 t -56.56 -59.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -51.39 -60.4 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 76' ' ' ILE . 69.9 mt -39.75 -68.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD13 ' HE1' ' A' ' 31' ' ' PHE . 22.2 mt -40.49 -59.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' THR . 3.4 mtpm? -51.41 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.343 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' LYS . 10.3 p -38.07 -34.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LEU . . . -73.35 99.96 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 6.0 ptp180 -45.11 -45.15 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 5.6 pt-20 -121.31 128.37 52.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.368 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 20' ' ' THR . 34.0 mt -86.81 138.6 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -154.66 65.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.855 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -94.29 156.07 16.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.1 ttt180 -101.06 118.09 36.3 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' CG ' ' A' ' 17' ' ' ARG . 29.5 m -117.68 158.9 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -152.08 139.69 19.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.17 115.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -117.41 38.87 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m 69.11 124.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.933 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -119.14 160.05 14.33 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.2 p -83.14 152.5 25.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -84.69 90.51 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.576 1.173 . . . . 0.0 111.028 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.71 133.09 55.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 p -165.16 162.21 19.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.64 -144.69 6.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -100.96 -59.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 m 57.44 164.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.48 76.45 0.43 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 142.35 51.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.63 171.17 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.13 64.64 7.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 pp -172.16 92.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 12' ' ' THR . 15.2 t -157.39 111.08 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -152.78 -69.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' A' ' 15' ' ' LEU . 68.5 m-85 -130.51 -1.36 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER 54.2 167.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' HD23 ' A' ' 15' ' ' LEU . 18.1 Cg_endo -74.98 131.57 14.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -90.87 147.75 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' C ' ' A' ' 17' ' ' ARG . 1.2 mp -100.63 124.04 53.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.573 HG23 ' CG2' ' A' ' 95' ' ' VAL . 73.2 t -98.81 95.11 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.422 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.8 m -97.82 134.18 41.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -121.43 152.09 39.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -103.73 -47.52 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 59.34 116.85 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 168.21 25.32 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.831 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 100.18 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.65 28.91 4.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 111.05 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.66 -168.2 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -138.21 156.01 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -39.82 -77.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.98 11.59 9.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CE2' HD23 ' A' ' 29' ' ' LEU . 19.2 p90 -162.9 157.95 21.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -114.95 155.31 27.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.739 HD13 ' CB ' ' A' ' 81' ' ' ALA . 1.1 pp -114.22 155.17 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 8.1 ptt180 -158.05 175.85 13.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 56.44 160.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 42' ' ' GLY . . . 104.44 65.82 0.69 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.98 -65.49 1.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.82 -148.39 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.3 t 39.21 38.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 51.67 74.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -143.01 148.75 37.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' O ' ' CA ' ' A' ' 36' ' ' GLY . . . -116.59 -157.5 11.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 35' ' ' GLY . 46.1 mm -93.12 141.04 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 0.798 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 80.6 m-85 -136.98 134.27 36.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.59 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -50.73 107.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.47 -57.86 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.08 147.26 31.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.59 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 51.7 t -132.09 127.33 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 mm -66.11 125.79 90.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.02 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 14.1 t0 172.7 40.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.8 p -130.76 170.7 14.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.621 ' O ' ' HB2' ' A' ' 57' ' ' ALA . 16.6 m-20 -61.45 -30.99 70.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HB1' ' CD2' ' A' ' 59' ' ' LEU . . . -67.99 -64.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB2' HG12 ' A' ' 48' ' ' VAL . 4.3 t-160 -42.34 -50.16 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -48.35 63.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . -43.54 -29.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.91 34.77 1.11 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.774 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -90.83 141.7 28.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -149.57 133.83 17.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -44.82 107.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.91 -45.36 1.04 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.55 115.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 109.224 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 6.6 tt0 -80.9 143.43 32.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 15.4 t -102.93 100.41 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.27 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.51 151.3 50.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.5 t -124.6 107.03 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 66.1 m-20 55.04 52.2 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 17.0 t0 83.42 -51.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.0 t -54.08 120.17 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.34 134.75 42.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.082 . . . . 0.0 109.374 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.5 m-85 -103.4 -7.71 20.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -44.64 -35.53 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.359 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.2 89.18 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 80' ' ' LYS . 15.4 tt -150.69 158.02 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -75.1 149.24 39.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.538 ' O ' HD11 ' A' ' 33' ' ' ILE . 36.7 t-80 -56.55 -45.36 81.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -57.82 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.653 ' HD3' HD11 ' A' ' 84' ' ' ILE . 0.6 OUTLIER -45.78 -57.52 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 33' ' ' ILE . . . -49.86 -54.86 16.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.447 HG23 HD11 ' A' ' 33' ' ' ILE . 40.0 t -54.47 -54.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 2.7 mt-10 -54.42 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.653 HD11 ' HD3' ' A' ' 80' ' ' LYS . 14.2 mt -40.27 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.1 mt -39.68 -53.11 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -57.07 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.3 p -38.32 -61.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.5 107.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -55.46 -35.08 65.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.04 129.28 49.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' THR . 7.3 mt -92.09 141.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.422 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.3 OUTLIER -166.37 74.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.17 159.85 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.66 128.1 42.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.573 ' CG2' HG23 ' A' ' 19' ' ' VAL . 17.3 m -131.69 155.53 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.376 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.76 141.8 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.76 158.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -122.79 37.96 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 m 63.31 90.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.62 -169.98 18.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 94.29 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.3 m -81.32 145.98 30.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -127.84 -61.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -162.92 149.35 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.42 170.84 4.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.99 -137.35 7.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -149.16 171.08 17.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.71 155.92 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.934 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.16 107.02 0.21 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -166.34 162.41 17.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 61.1 90.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -119.84 -149.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 47.38 81.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -123.0 140.05 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 14' ' ' PHE . 9.1 pt20 -165.56 -42.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' N ' ' CG ' ' A' ' 13' ' ' GLN . 11.1 m-85 -155.74 49.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.1 mt -94.97 150.91 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.88 40.99 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.491 1.785 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' VAL . 5.7 ptp180 -80.46 164.04 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 1.8 mm -102.89 152.67 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.226 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.653 HG11 HD11 ' A' ' 59' ' ' LEU . 63.7 t -139.39 95.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 91' ' ' ILE . 2.3 m -101.08 135.35 42.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp -118.23 163.13 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.07 -53.08 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.5 ttpp 59.85 119.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.04 170.33 20.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.76 2.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.81 34.27 6.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.691 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -111.31 -169.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LEU . 34.8 mt-30 -128.6 153.27 47.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' CE2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -39.43 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 123.24 2.93 8.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 29' ' ' LEU . 21.0 p90 -159.71 159.87 33.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 111.045 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 19.9 m-80 -115.11 164.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.693 ' CD1' ' HB3' ' A' ' 81' ' ' ALA . 1.3 pp -124.6 146.7 29.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 O-C-N 124.418 1.074 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -138.06 169.87 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.61 163.31 30.32 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.05 114.4 0.98 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.68 -61.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.59 -50.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.5 t -50.35 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 2.1 pp0? 179.05 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER 39.69 -141.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.48 163.24 34.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 23.4 mm -92.4 149.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 56.8 m-85 -152.91 139.99 19.29 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.4 mm -50.41 103.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -66.66 -58.74 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -145.14 153.9 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 88.6 t -134.23 132.19 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 mm -65.97 125.22 89.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.01 59.39 5.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 155.86 45.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.7 p -127.19 -170.66 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.24 -31.76 38.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -70.17 -41.06 74.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -52.1 -47.76 65.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.663 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -39.15 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.35 -30.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.12 31.29 2.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.431 1.082 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -88.09 143.1 27.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 0.743 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -146.46 139.19 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.91 107.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 -25.84 4.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 107.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.552 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 1.9 tt0 -67.68 131.19 45.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.735 HG13 ' SD ' ' A' ' 93' ' ' MET . 94.0 t -90.14 93.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 95' ' ' VAL . 2.9 mm? -55.99 -66.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.39 147.26 32.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG22 ' CB ' ' A' ' 93' ' ' MET . 69.0 t -119.55 114.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 5.2 m-80 59.69 42.79 16.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.43 -44.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.98 124.98 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -72.01 125.77 28.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -100.63 7.55 43.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.79 -9.86 56.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.0 p30 -165.93 76.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 12.4 tt -141.18 154.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.44 159.17 24.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 19.9 t-80 -72.76 -51.7 18.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -35.02 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.35 -44.59 35.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.693 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -60.2 -24.41 64.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.479 HG23 HD11 ' A' ' 33' ' ' ILE . 31.9 t -84.53 -63.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 84' ' ' ILE . 9.7 pt-20 -44.91 -48.84 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 12.2 mt -45.32 -56.74 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.4 mt -53.77 -35.03 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 87' ' ' THR . 19.4 mttt -72.35 -80.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' LYS . 6.8 t -36.66 -40.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 84' ' ' ILE . . . -60.35 95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 5.2 ptp180 -45.44 -42.75 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.2 pt-20 -124.61 125.4 44.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 20' ' ' THR . 6.9 mt -84.44 150.62 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.37 60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 110.034 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.842 ' CB ' HG22 ' A' ' 68' ' ' VAL . 3.5 ptp -91.96 165.26 13.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 1.6 mtt180 -108.57 128.29 54.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.329 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' HA ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -124.65 174.07 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.55 155.45 41.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 99' ' ' SER . 0.3 OUTLIER -76.99 74.97 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -67.14 67.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.088 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 97' ' ' PHE . 5.1 t -176.5 131.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.76 162.88 37.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.57 25.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.423 1.749 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.41 104.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.2 m -97.0 153.48 17.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.47 1.107 . . . . 0.0 111.026 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 m -99.13 169.54 9.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 0.768 . . . . 0.0 109.989 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -159.69 140.56 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.76 123.45 1.17 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -178.58 164.19 1.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 0.808 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -42.07 141.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.96 -75.15 0.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.578 1.174 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 58.62 166.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 0.805 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -134.96 140.19 45.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 64.13 111.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.9 mt -134.93 71.5 1.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 t -90.05 164.4 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.465 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 14' ' ' PHE . 5.1 pm0 -165.37 -41.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 13.2 m-85 -160.55 47.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 111.043 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.19 152.94 40.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 165.23 31.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.584 ' NE ' HG23 ' A' ' 95' ' ' VAL . 2.4 ptt180 -80.85 164.18 22.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 94' ' ' ARG . 3.2 mm -113.58 115.29 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.89 96.13 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -96.68 135.07 39.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 ' CA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -102.05 166.19 10.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.083 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 23' ' ' LYS . 9.1 mmtt -112.08 6.4 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HE3' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -33.42 121.37 0.46 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.02 164.13 33.94 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 56.66 4.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.55 41.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -132.54 -175.06 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 23' ' ' LYS . 59.6 mt-30 -113.94 161.74 17.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 1.1 mp -52.2 -84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.09 14.4 7.17 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 15.2 p90 -164.07 158.28 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 0.726 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 22.3 m-20 -109.05 139.58 43.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -106.33 132.89 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -129.79 170.59 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.67 -164.82 12.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.19 80.5 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' A' ' 38' ' ' ALA . 2.0 pttt -93.99 -49.53 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 37' ' ' LYS . . . -179.27 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' LEU . 7.6 t -76.42 61.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 59.08 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.6 OUTLIER 55.45 -153.24 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.18 38.35 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.541 ' C ' ' CD1' ' A' ' 44' ' ' PHE . 33.0 mm -89.89 147.17 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 39.4 m-85 -149.45 161.3 42.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 59' ' ' LEU . 4.1 mm -76.19 97.63 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -58.44 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -146.01 152.9 40.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 96.8 t -129.87 132.99 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.15 125.03 89.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.1 Cg_endo -75.09 56.07 4.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 161.0 43.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.1 p -125.79 -170.22 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' HB3' HD23 ' A' ' 21' ' ' LEU . 3.9 t70 -78.41 -38.92 40.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -62.08 -45.37 93.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -48.58 -44.63 36.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.54 -40.87 22.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.225 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 54' ' ' ALA . . . -43.49 -31.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.37 29.79 2.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD12 ' HB1' ' A' ' 54' ' ' ALA . 15.4 mt -92.66 151.97 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -163.24 145.66 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.38 103.49 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.28 43.88 0.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -132.67 100.22 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.7 tt0 -65.93 128.81 37.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.33 107.76 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.725 HD11 ' HE2' ' A' ' 98' ' ' PHE . 2.2 mm? -67.69 -62.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.91 161.5 37.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' A' ' 93' ' ' MET . 73.0 t -135.82 105.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 14.1 m-80 61.33 52.32 3.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.0 t0 82.04 -52.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 109.245 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.79 134.45 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.95 154.76 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -126.2 12.39 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' LEU . 2.3 mt-30 -69.47 -28.59 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 79.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 ' HG2' ' A' ' 80' ' ' LYS . 9.1 tt -137.22 153.72 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.48 139.35 57.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 21.6 t-80 -54.29 -58.77 6.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -45.17 -40.9 7.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.694 ' HG2' HD11 ' A' ' 76' ' ' ILE . 5.1 tptt -62.97 -56.42 17.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.69 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -43.09 -49.36 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.872 HG23 HD11 ' A' ' 33' ' ' ILE . 97.1 t -63.0 -57.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -52.37 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ALA . 95.7 mt -47.84 -70.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.49 -44.57 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -61.98 -69.82 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 p -49.02 -22.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -87.31 102.46 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.07 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -38.42 39.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -121.57 125.03 45.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CG2' ' SD ' ' A' ' 93' ' ' MET . 60.0 mt -86.87 120.66 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.49 72.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.81 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.88 169.04 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.8 mtt180 -112.91 138.32 49.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.584 HG23 ' NE ' ' A' ' 17' ' ' ARG . 19.5 m -133.47 167.39 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -157.01 151.2 25.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.32 83.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.725 ' HE2' HD11 ' A' ' 66' ' ' LEU . 2.3 m-85 -91.7 69.83 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t 45.86 93.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.08 172.73 16.62 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 149.87 37.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.53 152.3 31.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -96.83 -57.64 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m 67.13 170.25 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.733 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.64 153.65 20.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.22 -139.3 9.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.62 165.9 10.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 0.743 . . . . 0.0 109.999 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.86 150.22 18.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.11 -168.25 24.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -151.56 148.48 28.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -156.72 -58.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 49.53 80.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -116.11 63.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 p -128.74 171.85 11.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -163.01 -44.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.2 36.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -77.87 154.39 80.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.92 163.85 34.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' C ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -111.43 155.29 23.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 8.2 mm -102.12 136.62 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 59' ' ' LEU . 55.6 t -120.75 95.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.3 m -102.2 128.41 48.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.09 175.02 5.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LYS . 36.0 mmtt -112.04 -50.37 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' NZ ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER 59.57 117.34 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.05 160.53 39.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 65.57 6.01 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.043 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.03 43.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -121.35 175.59 6.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.786 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' LEU . 34.8 mt-30 -138.9 55.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD12 ' NZ ' ' A' ' 23' ' ' LYS . 5.4 mp 59.95 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.46 16.88 42.24 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 3.7 p90 -147.38 161.07 41.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 11.9 m-80 -108.99 128.68 55.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 82' ' ' VAL . 1.2 pp -100.31 138.18 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -137.26 175.19 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 129.44 4.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.4 -128.43 2.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER 65.78 -177.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -38.78 -65.49 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' GLN . 42.1 p -47.61 123.96 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 4.7 mt-30 -35.86 -57.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.55 -163.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' HD13 ' A' ' 43' ' ' ILE . . . -148.16 -153.61 6.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.15 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 42' ' ' GLY . 32.1 mm -122.78 139.18 50.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' SER . 46.8 m-85 -146.45 145.81 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.695 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.2 mm -61.34 85.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -48.68 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.25 164.21 33.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -131.04 133.98 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.11 123.6 85.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.11 55.08 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 160.61 45.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.8 p -130.5 -168.97 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.56 -27.67 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.1 -48.29 76.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.1 OUTLIER -47.83 -42.97 27.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.622 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -40.53 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.65 -37.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 115.28 27.69 3.05 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 29.2 mt -84.04 151.35 25.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 0.698 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -142.84 137.91 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.62 103.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.74 39.07 0.79 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.22 112.42 24.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 130.49 43.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.799 HG13 ' SD ' ' A' ' 93' ' ' MET . 75.7 t -96.56 91.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.4 mt -55.78 -67.3 0.3 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.6 139.52 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.767 HG21 ' CE2' ' A' ' 73' ' ' PHE . 81.3 t -107.96 112.36 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 42.5 m-20 60.7 41.2 15.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.6 t70 87.31 -42.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' VAL . 52.0 t -55.9 128.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.23 130.73 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' HG21 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -107.88 -8.13 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -46.63 -31.05 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -144.2 76.61 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 84' ' ' ILE . 2.5 tt -135.04 158.0 40.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.8 146.36 29.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 13.4 t-80 -52.48 -59.75 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -45.43 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.64 -43.19 84.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -61.09 -45.47 94.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 33' ' ' ILE . 88.4 t -62.03 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.82 -60.36 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' HD11 ' A' ' 76' ' ' ILE . 18.7 mt -41.89 -68.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 81' ' ' ALA . 6.2 mt -40.86 -56.7 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ALA . 8.0 mttm -53.23 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 40.3 p -37.41 -32.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' LYS . . . -80.78 118.68 22.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 29.0 ptt-85 -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.1 pt-20 -111.37 125.68 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.476 HD11 ' HE3' ' A' ' 23' ' ' LYS . 12.2 mt -92.26 124.05 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -149.61 88.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.799 ' SD ' HG13 ' A' ' 65' ' ' VAL . 16.9 ptp -106.78 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 5.5 ttt180 -112.44 108.96 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 19' ' ' VAL . 22.5 m -111.45 158.34 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -154.91 139.82 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -43.84 99.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 43.6 t80 -86.5 55.54 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.1 t 57.91 87.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.072 . . . . 0.0 109.986 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.93 156.8 28.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.69 24.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.592 1.838 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.8 p -89.56 -59.48 2.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.3 p -156.84 114.69 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.053 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -171.0 120.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 110.002 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -103.66 155.83 18.26 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.96 107.26 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.07 139.65 38.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -151.18 77.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.96 -114.63 0.73 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -163.8 163.09 24.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.602 0.824 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.82 151.09 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.37 118.76 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -147.13 79.37 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -104.89 153.96 20.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 14' ' ' PHE . 4.5 pm0 -169.17 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 5.8 m-85 -153.49 32.85 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.1 mt -81.18 160.54 65.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.14 159.33 42.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.578 HD13 ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -111.34 112.11 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.4 t -92.15 95.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.454 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.9 m -99.5 135.36 41.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD23 ' HE2' ' A' ' 23' ' ' LYS . 2.1 mp -118.88 149.34 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.3 -3.88 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HE2' HD23 ' A' ' 21' ' ' LEU . 3.7 tppt? -36.68 121.98 0.79 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.01 163.14 35.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.502 1.791 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.057 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.69 39.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -132.6 146.22 51.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.15 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 1.3 mp -129.42 -162.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.59 22.9 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 22.0 p90 -168.34 160.73 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -117.53 146.94 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.842 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -104.78 156.55 5.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 7.4 ptt180 -159.46 173.02 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.688 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 60.38 141.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 81.32 1.33 Allowed Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -148.9 77.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . 39.89 70.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -172.47 51.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 43.33 31.52 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD13 ' HE2' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -122.03 147.36 46.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.79 -177.79 19.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 35' ' ' GLY . 33.4 mm -84.16 126.07 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.58 0.812 . . . . 0.0 109.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 64' ' ' GLN . 82.8 m-85 -125.74 152.51 45.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.596 ' CG2' HG23 ' A' ' 48' ' ' VAL . 4.9 mm -67.49 111.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -75.43 -57.97 3.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.65 146.39 30.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.596 HG23 ' CG2' ' A' ' 45' ' ' ILE . 24.3 t -128.55 131.56 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.2 mm -65.79 126.06 91.01 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.0 Cg_endo -75.08 58.04 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER 156.67 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.0 p -125.32 -171.41 2.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 1.102 . . . . 0.0 110.098 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.1 m-20 -76.54 -30.7 57.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.866 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -71.44 -43.19 67.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -54.5 -44.51 72.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.642 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -46.09 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -44.71 -35.29 2.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.54 34.75 1.05 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.866 HD12 ' HB1' ' A' ' 54' ' ' ALA . 14.6 mt -94.45 137.44 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 0.839 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -143.27 138.15 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 113.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.59 -23.14 5.42 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.86 127.81 32.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.34 0.67 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 16.4 tt0 -85.46 149.53 25.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.708 HG13 ' SD ' ' A' ' 93' ' ' MET . 30.1 t -109.5 93.27 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.1 mt -55.61 -66.56 0.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.43 163.65 31.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 93' ' ' MET . 66.9 t -132.27 105.53 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 62.4 m-80 56.78 49.32 14.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 2.5 t70 85.46 -47.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.6 127.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.49 136.76 39.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 1.1 m-85 -109.63 -19.91 13.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -41.08 -33.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -143.16 79.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.646 HD11 HD11 ' A' ' 84' ' ' ILE . 3.8 tt -141.15 161.47 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -80.81 142.48 33.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 42.8 t-80 -51.36 -58.26 6.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.31 -40.2 48.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.687 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -66.17 -54.05 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.842 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -49.1 -46.72 45.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.427 HG23 HD11 ' A' ' 33' ' ' ILE . 58.7 t -62.46 -62.92 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' THR . 0.0 OUTLIER -48.59 -53.86 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.687 HD11 ' HG2' ' A' ' 80' ' ' LYS . 37.5 mt -40.38 -60.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.78 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.6 mppp? -43.15 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.4 p -41.05 -48.38 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.37 104.3 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -48.76 10.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -119.71 129.06 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.259 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' THR . 20.5 mt -83.59 124.25 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.454 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -147.56 73.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.851 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -99.79 161.61 13.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' HD13 ' A' ' 18' ' ' ILE . 1.7 ttp180 -107.65 113.93 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.505 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 32.7 m -111.99 166.09 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -155.2 129.39 8.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 5.9 p90 -38.31 119.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -145.64 53.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.2 p -170.24 104.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.961 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.82 177.23 16.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.575 1.172 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 128.03 11.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -60.57 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.43 105.97 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 O-C-N 124.452 1.095 . . . . 0.0 111.069 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -60.07 94.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 0.776 . . . . 0.0 110.076 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -58.9 -58.62 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 123.11 1.18 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -101.72 151.88 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.3 149.67 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.935 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.85 133.36 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -135.24 93.32 2.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.7 p30 -42.73 153.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -155.55 71.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.37 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 47.13 68.38 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -53.9 165.49 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -170.36 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -158.36 32.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -84.34 154.92 63.22 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 161.39 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 3.3 mm -119.37 117.45 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 57' ' ' ALA . 42.3 t -94.71 100.3 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.599 HG23 ' OG ' ' A' ' 92' ' ' SER . 1.7 m -98.14 128.34 44.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -121.44 176.21 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 23' ' ' LYS . 2.3 tttt -111.43 -74.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 58.95 119.28 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.99 165.42 31.36 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.441 1.758 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 54.65 3.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.432 1.754 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.5 38.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -136.09 151.91 50.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -62.48 -138.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 31' ' ' PHE . 2.8 tp -128.68 -65.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.55 8.75 8.92 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' ' 48' ' ' VAL . 15.2 p90 -167.94 159.71 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 17.6 m-20 -112.17 141.08 46.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.686 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -103.48 152.72 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -156.55 151.03 25.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.912 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 83.3 140.82 4.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.92 82.08 0.04 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -160.04 170.57 21.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.95 91.84 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.18 50.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 62.63 29.01 16.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.273 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.07 -159.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' GLY . . . 153.9 -167.72 32.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.912 HD13 ' O ' ' A' ' 35' ' ' GLY . 18.4 mm -87.0 127.27 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 81.0 m-85 -137.11 128.84 28.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 59' ' ' LEU . 25.3 mm -45.63 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' OG ' ' CB ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -65.5 -62.01 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.946 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.498 ' HE3' HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -146.14 153.27 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.229 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 31' ' ' PHE . 76.1 t -134.53 135.16 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.498 HD11 ' HE3' ' A' ' 47' ' ' LYS . 7.8 mm -66.31 126.94 92.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.04 56.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.4 m-20 156.43 46.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.0 p -125.36 -176.73 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.45 -30.75 63.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.717 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -70.71 -38.97 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -62.49 -29.51 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.679 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -85.72 -37.74 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -55.35 -31.18 61.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.63 26.27 3.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.717 HD12 ' HB1' ' A' ' 54' ' ' ALA . 13.0 mt -82.16 137.04 35.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.62 146.88 34.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.35 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.78 109.69 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.553 ' HA3' ' CE2' ' A' ' 98' ' ' PHE . . . 126.54 -24.5 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.08 97.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.6 tt0 -65.52 127.0 30.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 93' ' ' MET . 19.4 t -88.09 94.62 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.087 . . . . 0.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.557 HD21 ' NE ' ' A' ' 96' ' ' ARG . 81.2 mt -55.54 -66.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.13 161.22 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.755 HG22 ' HB3' ' A' ' 93' ' ' MET . 53.9 t -134.26 107.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 31.5 m-20 51.87 53.52 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 7.5 t0 82.8 -51.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.2 t -53.98 120.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -76.91 131.77 38.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.964 ' CE2' ' HB1' ' A' ' 81' ' ' ALA . 1.3 m-30 -98.23 -4.33 35.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.3 -33.89 21.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -142.81 80.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 73' ' ' PHE . 4.0 tt -144.57 157.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.78 151.72 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 9.2 t-80 -60.82 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HA ' ' CG1' ' A' ' 82' ' ' VAL . 93.7 p -47.66 -23.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 78' ' ' HIS . 1.4 tptt -80.85 -50.58 9.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.964 ' HB1' ' CE2' ' A' ' 73' ' ' PHE . . . -61.39 -50.82 71.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 83' ' ' GLU . 7.4 p -54.98 -54.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' N ' HG13 ' A' ' 82' ' ' VAL . 23.1 mt-10 -54.62 -56.37 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.3 mt -38.35 -57.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.487 HD22 ' CG2' ' A' ' 91' ' ' ILE . 74.4 mt -49.37 -67.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.486 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -47.32 -71.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 69.1 p -38.19 -56.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 132.14 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -42.61 75.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.06 127.51 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.487 ' CG2' HD22 ' A' ' 85' ' ' LEU . 6.1 mt -90.73 126.07 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.599 ' OG ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -145.44 77.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.755 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -106.9 163.08 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 2.2 ttt180 -107.15 125.77 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.0 m -121.27 158.58 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.557 ' NE ' HD21 ' A' ' 66' ' ' LEU . 26.6 ptt85 -158.3 151.56 23.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -41.45 152.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 35.9 p90 -132.1 9.03 4.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.77 -53.76 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.948 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.18 -145.35 26.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.437 1.085 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 160.4 40.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.65 111.18 18.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.3 m -104.33 104.64 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.443 1.09 . . . . 0.0 110.994 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -43.83 131.13 5.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -172.58 148.62 1.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.64 135.78 2.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -116.93 169.23 9.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 0.711 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 t -146.83 142.12 27.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.001 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.57 -142.11 6.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -177.54 111.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -131.25 159.45 37.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.391 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -128.23 88.96 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.252 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 mt -141.52 75.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -129.72 130.51 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.462 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' HB3' ' CD2' ' A' ' 14' ' ' PHE . 21.6 mm100 -155.0 -51.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 14.6 p90 -162.12 26.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.05 157.62 40.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 178.51 7.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -135.66 150.19 49.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 2.3 mm -103.02 109.3 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.746 HG11 HD13 ' A' ' 59' ' ' LEU . 90.4 t -92.55 95.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.2 129.22 44.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD23 ' CB ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -100.3 157.42 16.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 23' ' ' LYS . 3.2 mttt -103.3 6.0 37.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HE3' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -33.71 121.56 0.49 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.057 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.0 163.74 34.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.51 1.795 . . . . 0.0 111.049 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.62 40.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -131.4 -175.05 3.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 0.728 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -112.89 158.84 19.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' A' ' 23' ' ' LYS . 1.2 mp -52.22 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.82 10.19 7.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CZ ' ' HG ' ' A' ' 29' ' ' LEU . 9.7 p90 -159.05 157.25 30.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.426 ' CB ' ' OG ' ' A' ' 46' ' ' SER . 29.8 m-80 -103.07 150.92 23.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.73 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pt -117.44 158.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 1.7 ptp180 -159.59 174.38 14.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.51 -163.09 13.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.405 1.065 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.24 130.75 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.72 175.35 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.21 -61.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -39.83 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.32 -54.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 40.16 -156.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.39 166.56 38.44 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 43' ' ' ILE . 27.9 mm -81.65 136.27 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 70.9 m-85 -134.14 164.52 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 4.8 mm -80.86 87.48 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -52.45 -60.69 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 157.14 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.514 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 80.2 t -134.05 135.38 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.474 HG22 ' OD1' ' A' ' 51' ' ' ASP . 32.0 mm -66.83 128.9 94.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.5 Cg_endo -74.95 55.12 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER 154.67 50.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.2 p -128.43 -177.03 4.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' CB ' HD23 ' A' ' 21' ' ' LEU . 3.8 m-20 -71.71 -32.3 67.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -54.5 24.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 1.2 t-160 -46.64 -35.26 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.5 -39.5 16.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -51.07 -30.58 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.31 38.29 1.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.409 1.068 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.746 HD13 HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -95.79 144.12 26.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -146.65 133.61 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -46.01 115.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.98 54.08 0.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.83 108.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.568 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 2.8 tt0 -65.23 132.64 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.826 HG13 ' HB2' ' A' ' 93' ' ' MET . 99.0 t -104.12 93.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -51.38 -67.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -129.71 170.03 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.828 HG22 ' HB3' ' A' ' 93' ' ' MET . 2.5 t -141.27 107.33 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER 81.22 -51.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.188 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -174.01 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.39 157.77 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.81 126.75 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -101.57 33.54 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -88.5 -15.89 34.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -164.06 72.43 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.479 HD11 ' HG2' ' A' ' 80' ' ' LYS . 6.5 tt -125.11 162.3 27.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.65 144.08 34.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -51.95 -64.51 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.638 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 -47.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG2' HD11 ' A' ' 76' ' ' ILE . 3.4 ttpt -55.41 -54.6 41.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -51.9 -39.95 59.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 33' ' ' ILE . 4.8 t -72.51 -25.93 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.0 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -42.55 -57.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.6 mt -46.8 -62.63 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -45.43 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 p -39.16 -71.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.87 109.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 90' ' ' GLU . 11.1 ptm180 -50.93 -39.17 54.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 89' ' ' ARG . 9.4 pt-20 -121.11 125.9 48.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.601 1.188 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.5 mt -87.91 121.19 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -123.83 78.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.828 ' HB3' HG22 ' A' ' 68' ' ' VAL . 1.2 ptp -99.66 137.4 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 4.2 ttp180 -99.71 103.97 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 23.3 m -102.5 163.81 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 1.1 ttp180 -156.55 139.19 15.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 71.3 m-85 -37.49 113.53 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.32 48.7 2.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.6 m 62.27 134.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.54 152.56 19.5 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.411 1.069 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.98 3.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.4 94.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m 63.25 160.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.016 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -168.11 167.51 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.039 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.88 162.82 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.83 -167.65 12.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -169.53 155.1 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 155.68 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.937 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.47 -171.03 14.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 163.31 28.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.13 -62.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -170.49 105.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.4 mt -143.26 67.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -99.47 116.33 31.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.47 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.532 ' HG2' ' CG ' ' A' ' 14' ' ' PHE . 4.9 pm0 -149.47 -44.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' CG ' ' HG2' ' A' ' 13' ' ' GLN . 1.8 p90 -167.37 29.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -83.02 145.03 48.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' N ' HD12 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -75.0 134.46 17.83 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.694 ' CG ' HG23 ' A' ' 95' ' ' VAL . 15.5 ptp180 -91.99 166.96 12.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mm -120.17 125.92 74.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 59' ' ' LEU . 84.9 t -112.36 96.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -95.0 135.46 36.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -110.79 156.17 21.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 2.3 tttt -105.38 -11.66 16.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -37.91 130.76 0.93 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 160.17 40.4 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.532 1.806 . . . . 0.0 111.039 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.15 4.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.05 40.23 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.569 1.168 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -140.75 171.53 13.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -68.91 116.32 9.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' HE2' ' A' ' 23' ' ' LYS . 1.2 tp -40.25 -61.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.75 6.04 28.88 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' CE1' ' HG ' ' A' ' 29' ' ' LEU . 4.5 p90 -162.71 159.07 23.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' SER . 35.0 m-80 -114.77 147.91 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 81' ' ' ALA . 1.1 pp -111.91 150.41 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 3.8 ptt85 -150.35 171.04 17.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.2 -175.1 24.65 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.818 ' H ' HD23 ' A' ' 41' ' ' LEU . . . 127.07 -131.99 7.44 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.32 170.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLN . . . -69.73 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t 55.34 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -157.53 -77.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.818 HD23 ' H ' ' A' ' 36' ' ' GLY . 1.0 OUTLIER 39.43 -147.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' PHE . . . 161.31 -177.97 37.42 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 43' ' ' ILE . 8.3 mm -84.73 139.07 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 64' ' ' GLN . 86.4 m-85 -138.97 144.46 38.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 2.9 mm -63.65 89.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.57 -61.72 1.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -144.42 162.68 35.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.432 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 75.2 t -134.69 125.81 46.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.611 HG22 ' OD1' ' A' ' 51' ' ' ASP . 49.3 mm -65.94 125.88 90.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.1 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.611 ' OD1' HG22 ' A' ' 49' ' ' ILE . 5.7 p-10 166.71 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.4 p -128.14 -168.74 1.95 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.556 1.16 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.41 -35.88 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.927 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -64.83 -39.03 92.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 19.0 t-160 -55.59 -43.27 75.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -41.7 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.15 -33.91 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.49 23.38 4.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.927 HD12 ' HB1' ' A' ' 54' ' ' ALA . 11.3 mt -77.67 139.28 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -132.92 143.32 49.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.18 101.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.76 40.16 0.54 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -114.2 104.91 12.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 0.791 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HB2' ' CE2' ' A' ' 44' ' ' PHE . 3.2 tt0 -65.35 129.81 41.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 93' ' ' MET . 57.8 t -95.77 100.22 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.5 mt -56.75 -64.39 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.79 161.61 35.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.89 HG22 ' HB3' ' A' ' 93' ' ' MET . 55.4 t -134.32 105.26 6.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 29.4 m-80 57.59 52.49 8.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 4.8 t70 81.93 -53.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 44.9 t -54.18 125.62 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.35 145.53 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 1.1 m-85 -114.52 -12.37 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.39 -26.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' N ' ' C ' ' A' ' 73' ' ' PHE . 35.7 t0 -147.25 71.39 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.384 1.053 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.8 tt -127.67 156.36 39.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -81.4 138.32 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 41.2 t-80 -44.67 -59.81 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.94 -49.88 38.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.14 -59.36 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.385 1.053 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.737 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -47.8 -52.21 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 33' ' ' ILE . 51.8 t -55.94 -44.07 76.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -65.08 -61.75 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' GLU . 46.0 mt -40.54 -65.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -63.57 -74.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.6 p -38.42 -56.5 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.83 107.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -40.8 46.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -122.32 130.52 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.99 129.72 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.96 68.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.89 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -92.21 170.13 10.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -110.26 137.56 47.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.423 1.077 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.694 HG23 ' CG ' ' A' ' 17' ' ' ARG . 17.3 m -135.88 161.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -161.89 137.92 7.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 110.363 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.63 111.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -96.23 62.63 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t 43.09 86.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.37 148.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 70.07 5.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 p -171.51 164.05 6.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.21 -53.57 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.84 154.45 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.965 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.29 123.4 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.63 111.14 2.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.89 166.38 26.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.15 122.71 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.27 152.49 10.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -135.62 95.17 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -163.96 109.57 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.19 119.63 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.367 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 43.64 71.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 t -64.41 134.27 54.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 59.5 mm-40 -155.55 -44.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 21.3 m-85 -156.63 35.25 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.23 162.96 5.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -178.79 4.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 157.87 44.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.0 mm -108.21 110.79 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.02 HG11 ' CD1' ' A' ' 59' ' ' LEU . 38.5 t -100.71 96.96 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 138.16 31.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 54' ' ' ALA . 1.8 mp -107.16 163.03 13.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.89 -14.25 14.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -37.97 130.59 0.95 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -74.96 160.88 39.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.41 1.742 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.25 4.21 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.07 40.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.092 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -143.09 168.68 19.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.98 121.22 13.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.685 HD23 ' CE2' ' A' ' 31' ' ' PHE . 1.4 tp -42.7 -51.87 5.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.86 1.71 42.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' CE2' HD23 ' A' ' 29' ' ' LEU . 7.8 p90 -158.35 159.84 36.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -108.6 151.37 26.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 82' ' ' VAL . 1.6 pp -118.45 143.07 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -146.86 176.76 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.39 -155.38 16.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.91 -104.16 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt 76.2 168.47 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 0.757 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.83 -59.02 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.381 1.05 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.11 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 172.57 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 42.25 -147.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.79 178.26 29.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' ILE . 21.7 mm -91.1 133.81 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 22.9 m-85 -132.14 160.43 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 15.1 mm -71.94 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 159.34 43.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 67.3 t -133.96 130.82 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.5 127.14 93.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.06 55.38 3.96 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER 162.86 43.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.2 p -125.82 -175.41 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.82 -34.9 57.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -66.51 -38.02 86.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.73 -38.98 73.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.547 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -43.69 14.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.32 -36.04 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.55 38.42 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.02 ' CD1' HG11 ' A' ' 19' ' ' VAL . 4.3 mp -94.25 142.71 27.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -144.32 138.71 28.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.25 104.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.246 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.1 -40.07 1.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -48.13 139.32 8.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.578 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 4.8 tt0 -104.56 139.71 39.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 25.1 t -96.8 104.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.79 -63.03 1.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.49 157.95 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 93' ' ' MET . 83.7 t -136.85 109.98 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.4 33.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.93 22.96 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 47.2 t -112.17 136.76 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.78 115.23 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -101.91 -16.37 16.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -42.35 -27.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 73' ' ' PHE . 2.9 m-20 -146.16 79.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 84' ' ' ILE . 3.2 tt -136.26 153.64 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -74.74 141.15 44.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -46.16 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -46.94 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.84 -48.7 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.665 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -60.99 -43.9 98.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.76 HG23 HD11 ' A' ' 33' ' ' ILE . 90.9 t -60.04 -49.04 85.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 87' ' ' THR . 1.6 mp0 -61.69 -59.17 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.211 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 76' ' ' ILE . 38.6 mt -41.29 -64.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.19 -48.91 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -60.59 -71.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' GLU . 81.9 p -40.67 -63.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.83 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -39.19 -51.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.54 128.26 55.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.2 mt -83.66 127.57 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.35 73.8 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.837 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -98.11 160.34 14.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.46 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -108.91 113.99 27.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 64' ' ' GLN . 9.0 m -108.24 161.48 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 97' ' ' PHE . 6.3 ttt180 -148.91 139.3 22.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -63.55 106.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 111.031 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -110.26 65.33 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.35 94.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.007 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.15 -147.38 21.67 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 141.68 27.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.493 1.786 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 t 54.86 73.2 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.1 p -140.24 142.74 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.927 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -134.2 167.22 21.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.9 145.06 17.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.59 67.72 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 p -140.99 164.32 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.61 0.83 . . . . 0.0 110.066 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -50.71 132.94 26.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.17 109.18 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.42 1.075 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.46 109.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -174.46 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 68.39 124.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -143.36 77.23 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.4 m -72.17 142.82 49.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -154.43 -46.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -162.05 26.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.14 154.39 30.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.778 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.98 158.96 43.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 4.1 mm -109.57 107.95 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 59' ' ' LEU . 96.0 t -95.23 96.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -87.84 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 21' ' ' LEU . 3.1 tp -105.22 169.23 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -114.3 -12.08 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -39.22 129.42 1.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.02 157.97 42.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.569 1.826 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.36 4.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.24 40.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -152.28 174.52 13.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.91 149.23 49.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.985 HD12 ' CE2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -70.72 -71.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.82 -2.81 6.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.985 ' CE2' HD12 ' A' ' 29' ' ' LEU . 43.6 p90 -146.72 162.63 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 0.806 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' SER . 40.3 m-80 -112.16 133.55 54.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 82' ' ' VAL . 1.9 pt -103.11 150.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -156.14 174.25 15.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.26 -166.63 24.51 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.94 -145.08 18.64 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.41 168.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.799 . . . . 0.0 109.355 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.73 95.72 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -179.96 48.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 59.26 61.64 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.7 mt -138.79 -165.02 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -156.47 23.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.563 1.164 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.42 132.09 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 74.9 m-85 -135.55 150.29 49.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 11.1 mm -68.82 76.67 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -39.31 -61.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 160.45 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.424 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 54.3 t -127.63 135.31 63.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.76 127.68 93.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 18.2 Cg_endo -75.08 55.6 4.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.495 1.787 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 5.7 m-20 155.42 46.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -134.28 172.84 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ALA . 9.6 m-20 -62.55 -31.07 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 59' ' ' LEU . . . -67.32 -29.78 69.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CE1' ' HA ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -78.22 -36.27 47.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.587 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.13 -15.84 39.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ASP . . . -82.4 -5.37 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 -5.45 76.05 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 HG11 ' A' ' 19' ' ' VAL . 5.3 tp -51.52 141.52 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -149.26 173.22 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.5 117.07 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.71 -29.16 5.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.9 97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 44' ' ' PHE . 2.6 tt0 -70.67 132.0 44.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t -88.17 98.4 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.67 -64.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.18 158.45 43.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.761 HG12 ' ND2' ' A' ' 69' ' ' ASN . 98.6 t -136.43 134.08 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.761 ' ND2' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER 40.83 39.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 3.3 m-20 85.95 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' VAL . 22.0 t -56.49 122.21 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.86 140.14 51.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 68' ' ' VAL . 2.2 m-30 -109.81 3.52 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.55 -20.41 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -165.95 80.22 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 84' ' ' ILE . 13.0 tt -134.47 159.45 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.48 146.29 48.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.537 ' O ' HD11 ' A' ' 33' ' ' ILE . 27.2 t-80 -57.99 -50.29 73.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -49.83 69.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.621 ' HG2' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -55.77 -49.75 72.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -54.26 -38.46 65.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 33' ' ' ILE . 33.6 t -73.24 -41.82 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' THR . 1.5 mp0 -66.1 -61.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 76' ' ' ILE . 14.3 mt -40.32 -57.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 63.0 mt -47.18 -55.43 8.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' CD2' ' A' ' 29' ' ' LEU . 1.5 mttp -59.75 -69.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.7 p -38.35 -55.24 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 89' ' ' ARG . . . -55.92 99.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 88' ' ' ALA . 18.8 ptt180 -37.89 -47.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.65 126.17 51.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.17 124.04 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.65 76.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.756 ' HB3' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -99.06 162.96 12.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 3.1 mtp180 -113.43 115.64 28.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 7.0 m -110.53 162.76 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -145.85 130.16 17.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.39 98.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 29.9 t80 -92.64 60.5 3.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.3 t -178.38 139.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.77 173.33 23.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.35 36.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.85 -58.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.6 t -76.94 97.34 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -158.67 162.36 37.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -145.57 169.13 19.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.56 137.05 16.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.64 165.82 18.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.727 . . . . 0.0 110.011 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -126.5 142.06 51.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.03 79.36 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.591 1.182 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -157.19 -52.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.91 156.54 35.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.44 50.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -114.96 49.81 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' THR . 13.0 t -76.41 113.56 14.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 34.9 mt-30 -151.49 -47.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' GLN . 2.5 m-85 -159.01 33.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.74 158.39 1.62 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.38 157.82 45.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.415 HD11 ' NE ' ' A' ' 94' ' ' ARG . 3.4 mm -112.89 112.68 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.904 HG13 ' HB1' ' A' ' 57' ' ' ALA . 89.3 t -103.56 95.74 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -78.78 135.96 37.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -121.76 155.11 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' LYS . 10.2 tttm -89.83 -70.38 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.615 ' CD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER 61.4 126.23 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.864 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.01 162.82 36.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.36 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.35 41.73 1.34 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.864 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -106.63 165.58 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.52 25.52 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' CD ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER 66.09 140.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.56 7.72 56.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HZ ' HD22 ' A' ' 85' ' ' LEU . 3.7 p90 -152.11 175.88 12.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -119.54 156.24 30.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.046 HD11 HG23 ' A' ' 82' ' ' VAL . 1.1 pt -128.6 137.6 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 46' ' ' SER . 35.4 ptt180 -138.16 178.29 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.59 148.98 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 131.27 150.28 6.67 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER 39.85 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.05 -64.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 t -153.47 81.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 41.43 37.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.9 158.04 15.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.11 -153.35 9.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -106.86 142.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE2' ' OE1' ' A' ' 64' ' ' GLN . 88.9 m-85 -144.37 154.04 42.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.543 ' CG2' ' CG2' ' A' ' 48' ' ' VAL . 3.2 mm -71.23 78.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.451 ' HB2' ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -46.14 -56.34 5.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -146.46 160.84 41.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' CG2' ' CG2' ' A' ' 45' ' ' ILE . 73.5 t -134.12 136.08 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.0 mm -66.07 124.24 87.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HA ' ' ND1' ' A' ' 55' ' ' HIS . 18.3 Cg_endo -75.05 55.4 3.96 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER 160.03 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.087 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -127.59 -171.4 2.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -77.44 -35.83 53.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HA ' HD11 ' A' ' 21' ' ' LEU . . . -64.47 -43.31 94.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 4.2 t-160 -55.57 -33.3 63.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.0 -42.0 12.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.904 ' HB1' HG13 ' A' ' 19' ' ' VAL . . . -46.74 -29.47 1.93 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.105 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.08 31.62 2.62 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.815 HD13 HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -86.64 142.8 27.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 0.804 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -146.41 140.37 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -49.38 105.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.18 -31.82 1.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.595 1.185 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.38 134.73 56.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.786 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CE2' ' A' ' 44' ' ' PHE . 4.8 tt0 -107.27 137.73 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.629 HG13 ' HB2' ' A' ' 93' ' ' MET . 5.1 t -87.98 111.44 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.787 HD21 ' HE2' ' A' ' 98' ' ' PHE . 88.9 mt -75.74 -62.15 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 93' ' ' MET . . . -149.94 150.97 32.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.738 HG13 ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -134.26 131.64 55.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 61.7 m-80 48.22 30.18 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 78.9 34.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 84' ' ' ILE . 93.1 t -108.89 153.92 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -105.22 101.96 11.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.738 ' CE1' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -86.29 -26.16 25.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' PHE . 34.0 mt-30 -38.47 -37.82 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.94 73.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD11 ' A' ' 84' ' ' ILE . 2.2 tt -130.84 162.42 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' LYS . 12.9 mp0 -86.96 130.45 34.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 33' ' ' ILE . 43.2 t-80 -39.41 -50.56 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.516 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -45.89 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -64.68 -45.64 85.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.545 ' O ' HD12 ' A' ' 85' ' ' LEU . . . -54.3 -47.58 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 1.046 HG23 HD11 ' A' ' 33' ' ' ILE . 60.4 t -64.89 -29.5 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.53 -61.39 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.218 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 HG11 ' A' ' 71' ' ' VAL . 6.3 mt -40.17 -47.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.67 HD23 ' CG2' ' A' ' 91' ' ' ILE . 2.7 mt -62.0 -68.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' THR . 16.6 mttt -42.04 -69.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 42.7 p -37.48 -71.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' LEU . . . -56.01 119.46 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 33.7 ptt-85 -56.36 -49.18 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 9.2 pt-20 -107.43 122.62 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.67 ' CG2' HD23 ' A' ' 85' ' ' LEU . 4.4 mt -91.38 106.2 17.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.32 71.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.629 ' HB2' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -91.1 157.47 17.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' NE ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -107.26 106.74 17.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 64' ' ' GLN . 4.3 m -98.35 158.21 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -153.57 135.43 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.24 99.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.787 ' HE2' HD21 ' A' ' 66' ' ' LEU . 2.0 m-85 -104.27 67.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.14 89.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.0 155.8 26.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.71 26.4 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.45 86.9 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -62.98 153.52 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 179.979 . . . . . . . . 0 0 . 1 stop_ save_